2-chloro-5-[(4-methoxyphenyl)(prop-2-en-1-yl)sulfamoyl]benzoic acid

2-chloro-5-[(4-methoxyphenyl)(prop-2-en-1-yl)sulfamoyl]benzoic acid

Formula: C17H16ClNO5S

SMILES: COC1=CC=C(C=C1)N(CC=C)S(=O)(=O)C1=CC(C(O)=O)=C(Cl)C=C1

IUPAC: 2-chloro-5-[(4-methoxyphenyl)(prop-2-en-1-yl)sulfamoyl]benzoic acid

InChI: InChI=1S/C17H16ClNO5S/c1-3-10-19(12-4-6-13(24-2)7-5-12)25(22,23)14-8-9-16(18)15(11-14)17(20)21/h3-9,11H,1,10H2,2H3,(H,20,21)

Composition: C (53.48%), H (4.22%), Cl (9.28%), N (3.67%), O (20.95%), S (8.40%)

Molar Mass: 381.83

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	381.0437715
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	BZPCJEIKGXJCIU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.47
Topological Polar Surface Area	83.91
Polarizability	37.26
Ring Count	2
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H16ClNO5S		Quote Only