3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoic acid

3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoic acid

Formula: C16H16ClNO6S

SMILES: COC1=CC(OC)=C(Cl)C=C1NS(=O)(=O)C1=C(C)C=CC(=C1)C(O)=O

IUPAC: 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoic acid

InChI: InChI=1S/C16H16ClNO6S/c1-9-4-5-10(16(19)20)6-15(9)25(21,22)18-12-7-11(17)13(23-2)8-14(12)24-3/h4-8,18H,1-3H3,(H,19,20)

Composition: C (49.81%), H (4.18%), Cl (9.19%), N (3.63%), O (24.88%), S (8.31%)

Molar Mass: 385.82

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	385.0386861
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	ZOFSVBFLCUNRCN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.92
Topological Polar Surface Area	101.93
Polarizability	36.33
Ring Count	2
Rotatable Bond Count	5

Suppliers

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C16H16ClNO6S		Quote Only