4-Nitrobenzenesulfonamide - CAS 6325-93-5

Catalog:	BB032079
Product Name:	4-Nitrobenzenesulfonamide
CAS:	6325-93-5
Synonyms:	4-nitrobenzenesulfonamide

Technical Data

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Computed Properties

IUPAC Name:	4-nitrobenzenesulfonamide
Description:	4-Nitrobenzenesulfonamide (CAS# 6325-93-5) is a useful research chemical.
Molecular Weight:	202.19
Molecular Formula:	C6H6N2O4S
Canonical SMILES:	C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N
InChI:	InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
InChI Key:	QWKKYJLAUWFPDB-UHFFFAOYSA-N
Boiling Point:	417.8 °C at 760 mmHg
Density:	1.552 g/cm³
MDL:	MFCD00007937
LogP:	2.54650

Publication Number	Title	Priority Date
CN-113511990-A	N-protected (E) -2- (aminomethyl) -1, 3-diphenylprop-2-en-1-one derivatives and preparation thereof	20210630
CN-113336769-A	Thienopyrimidone acylsulfonamide derivative and preparation method and application thereof	20210430
CN-113200901-A	Aziridine-2-yl- (aryl) ketone derivative and preparation method thereof	20210421
CN-113200915-A	3-aryl-4, 5-dihydro-1H-pyrazole-5 amine and preparation method thereof	20210421
CN-113214183-A	5- (aminomethyl) -4-arylthiophene-2-amine derivative and preparation method thereof	20210421

PMID	Publication Date	Title	Journal
23020247	20121019	Multicomponent approach in the synthesis of 2,2,6-trisubstituted morpholine derivatives	Organic letters
22032973	20120101	Determination of structural and vibrational spectroscopic properties of 2-, 3-, 4-nitrobenzenesulfonamide using FT-IR and FT-Raman experimental techniques and DFT quantum chemical calculations	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22259387	20120101	N-Benzoyl-4-nitro-benzene-sulfonamide monohydrate	Acta crystallographica. Section E, Structure reports online
21130650	20110101	Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II)	Bioorganic & medicinal chemistry letters
20617832	20100806	Ring opening of a resin-bound chiral aziridine with phenol nucleophiles	The Journal of organic chemistry

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Related Functional Groups

Sulfur Compounds

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[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.00482785
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	202.00482785
Rotatable Bond Count:	1
Topological Polar Surface Area:	114 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6