4H-1,2,4-Triazole-3-sulfonamide - CAS 89517-96-4

Catalog:	BB039516
Product Name:	4H-1,2,4-Triazole-3-sulfonamide
CAS:	89517-96-4
Synonyms:	1H-1,2,4-triazole-5-sulfonamide; 1H-1,2,4-triazole-5-sulfonamide

Technical Data

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Computed Properties

IUPAC Name:	1H-1,2,4-triazole-5-sulfonamide
Description:	4H-1,2,4-Triazole-3-sulfonamide (CAS# 89517-96-4) is a useful research chemical.
Molecular Weight:	148.14
Molecular Formula:	C2H4N4O2S
Canonical SMILES:	C1=NNC(=N1)S(=O)(=O)N
InChI:	InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)
InChI Key:	WXJWETDFIWKUHH-UHFFFAOYSA-N
MDL:	MFCD18207305
LogP:	0.23320

Publication Number	Title	Priority Date
CA-3071143-A1	Novel compounds	20170815
CA-3059428-A1	Glucocorticoid receptor modulators	20170411
EA-034776-B1	APJ TRIAZOLE AGONISTS	20150520
AU-2016222278-A1	Sulfonylureas and related compounds and use of same	20150216
AU-2020203464-A1	Sulfonylureas and related compounds and use of same	20150216

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Related Functional Groups

Carbonyl Compounds

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[55441-25-3]
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[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
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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:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.00549656
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	148.00549656
Rotatable Bond Count:	1
Topological Polar Surface Area:	110 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1