N-(2-Nitrophenyl)methanesulfonamide - CAS 85150-03-4

Catalog:	BB037509
Product Name:	N-(2-Nitrophenyl)methanesulfonamide
CAS:	85150-03-4
Synonyms:	N-(2-nitrophenyl)methanesulfonamide; N-(2-nitrophenyl)methanesulfonamide

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Computed Properties

IUPAC Name:	N-(2-nitrophenyl)methanesulfonamide
Description:	N-(2-Nitrophenyl)methanesulfonamide (CAS# 85150-03-4 ) is a useful research chemical.
Molecular Weight:	216.21
Molecular Formula:	C7H8N2O4S
Canonical SMILES:	CS(=O)(=O)NC1=CC=CC=C1[N+](=O)[O-]
InChI:	InChI=1S/C7H8N2O4S/c1-14(12,13)8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3
InChI Key:	WFRCGQPFZHHIDL-UHFFFAOYSA-N
Boiling Point:	366 °C at 760 mmHg
Density:	1.525 g/cm³
MDL:	MFCD00464153
LogP:	2.64330

Publication Number	Title	Priority Date
WO-2021125758-A1	Novel deuterium-substituted pyrimidine derivative and pharmaceutical composition comprising same	20191216
WO-2019190259-A1	Novel sulfonamide derivative having inhibitory effect on epidermal growth factor receptor mutation	20180330
US-2018134700-A1	Tyk2 inhibitors and uses thereof	20161021
AU-2013341185-A1	Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNalpha responses	20121108
AU-2013341185-B2	Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNalpha responses	20121108

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	303
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.02047791
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	216.02047791
Rotatable Bond Count:	2
Topological Polar Surface Area:	100 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2