4-[(Isopropylamino)sulfonyl]benzoic Acid - CAS 10252-66-1

Catalog:	BB000879
Product Name:	4-[(Isopropylamino)sulfonyl]benzoic Acid
CAS:	10252-66-1
Synonyms:	4-(propan-2-ylsulfamoyl)benzoic acid; 4-(propan-2-ylsulfamoyl)benzoic acid

Technical Data

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Computed Properties

IUPAC Name:	4-(propan-2-ylsulfamoyl)benzoic acid
Description:	4-[(Isopropylamino)sulfonyl]benzoic Acid (CAS# 10252-66-1) is a useful research chemical.
Molecular Weight:	243.28
Molecular Formula:	C10H13NO4S
Canonical SMILES:	CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)O
InChI:	InChI=1S/C10H13NO4S/c1-7(2)11-16(14,15)9-5-3-8(4-6-9)10(12)13/h3-7,11H,1-2H3,(H,12,13)
InChI Key:	PBAHLISBEZVUFP-UHFFFAOYSA-N
LogP:	2.54320

Publication Number	Title	Priority Date
CN-112442356-A	ABX3Preparation method of type stable perovskite quantum dot	20201203
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EP-2595989-B1	Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels	20100506
WO-2011140425-A1	Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels	20100506
US-2009035268-A1	Tetrazolyl acyclic hepatitis c serine protease inhibitors	20070801

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Complexity:	336
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.05652907
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	243.05652907
Rotatable Bond Count:	4
Topological Polar Surface Area:	91.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2