Isopropylsulfonamide - CAS 81363-76-0

Catalog:	BB036647
Product Name:	Isopropylsulfonamide
CAS:	81363-76-0
Synonyms:	2-propanesulfonamide; propane-2-sulfonamide

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Computed Properties

IUPAC Name:	propane-2-sulfonamide
Description:	Isopropylsulfonamide (CAS# 81363-76-0) is a useful research chemical.
Molecular Weight:	123.17
Molecular Formula:	C3H9NO2S
Canonical SMILES:	CC(C)S(=O)(=O)N
InChI:	InChI=1S/C3H9NO2S/c1-3(2)7(4,5)6/h3H,1-2H3,(H2,4,5,6)
InChI Key:	SJMCLWCCNYAWRQ-UHFFFAOYSA-N
Boiling Point:	216.5 °C at 760 mmHg
Density:	1.194 g/cm³
Appearance:	Off-white solid
MDL:	MFCD03550610
LogP:	1.46440

Publication Number	Title	Priority Date
CN-113336769-A	Thienopyrimidone acylsulfonamide derivative and preparation method and application thereof	20210430
CN-112694497-A	Preparation method of 4-isopropylsulfonyl phenylboronic acid	20201225
KR-102249543-B1	Composition for treating Coronavirus Disease-19 comprising phenanthroindolizidine and phenanthroquinolizidine alkaloid derivatives, optical isomer thereof, or pharmaceutically acceptable salts thereof	20200826
WO-2021195723-A1	"methods for treatment of coronavirus infections"	20200403
WO-2021198745-A1	Drug for prevention or treatment of irritable bowel syndrome or inflammatory bowel disease	20200330

PMID	Publication Date	Title	Journal
16507647	20060601	Application of biocatalysis to drug metabolism: preparation of mammalian metabolites of a biaryl-bis-sulfonamide AMPA (alpha-amino-3-hydroxy-5-methylisoxazole-4-propionic acid) receptor potentiator using Actinoplanes missouriensis	Drug metabolism and disposition: the biological fate of chemicals

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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:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.03539970
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	123.03539970
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3