4-Formylbenzenesulfonamide - CAS 3240-35-5

Catalog:	BB021283
Product Name:	4-Formylbenzenesulfonamide
CAS:	3240-35-5
Synonyms:	4-formylbenzenesulfonamide; 4-formylbenzenesulfonamide

Technical Data

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Computed Properties

IUPAC Name:	4-formylbenzenesulfonamide
Description:	4-Formylbenzenesulfonamide (CAS# 3240-35-5) is an impurity in the synthesis of Mafenide (M110200), an antibacterial.
Molecular Weight:	185.20
Molecular Formula:	C7H7NO3S
Canonical SMILES:	C1=CC(=CC=C1C=O)S(=O)(=O)N
InChI:	InChI=1S/C7H7NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-5H,(H2,8,10,11)
InChI Key:	PCPUKVSTMLHXQF-UHFFFAOYSA-N
Boiling Point:	392.7 °C at 760 mmHg
Density:	1.424 g/cm³
MDL:	MFCD03196508
LogP:	1.92760

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.01466426
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.01466426
Rotatable Bond Count:	2
Topological Polar Surface Area:	85.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1