2-Fluorobenzenesulfonamide - CAS 30058-40-3

Catalog:	BB020427
Product Name:	2-Fluorobenzenesulfonamide
CAS:	30058-40-3
Synonyms:	2-fluorobenzenesulfonamide

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-fluorobenzenesulfonamide
Description:	2-Fluorobenzenesulfonamide (CAS# 30058-40-3) is a useful research chemical.
Molecular Weight:	175.18
Molecular Formula:	C6H6FNO2S
Canonical SMILES:	C1=CC=C(C(=C1)F)S(=O)(=O)N
InChI:	InChI=1S/C6H6FNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)
InChI Key:	WFLBWYLZCQOPCA-UHFFFAOYSA-N
Boiling Point:	317.1 °C at 760 mmHg
Melting Point:	163-166 °C
Purity:	> 98.0 % (GC)
Density:	1.428 g/cm³
Appearance:	Off-white solid
MDL:	MFCD00042283
LogP:	2.25420

Publication Number	Title	Priority Date
WO-2021123237-A1	2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use	20191219
WO-2021127499-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20191218
WO-2021094210-A1	Substituted pyrazine carboxamide derivatives as prostaglandin ep3 receptor antagonists	20191112
WO-2021069705-A1	Isoindolinone compounds	20191009
WO-2021026099-A1	Kif18a inhibitors	20190802

PMID	Publication Date	Title	Journal
19882701	20091201	Thermodynamic optimisation in drug discovery: a case study using carbonic anhydrase inhibitors	ChemMedChem

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Related Functional Groups

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[2367-82-0]
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[1183749-69-0]
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[927800-47-3]
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Sulfur Compounds

[6633-90-5]
1,4-Butanedithiol diacetate
[85-47-2]
1-Naphthalenesulfonic acid
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[874-87-3]
4-(Methylthio)benzyl chloride
[5310-68-9]
4-Chlorophenylsulphur pentafluoride

GHS Hazard Statement:	H301 (95.12%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.01032777
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.01032777
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2