3-(dimethylsulfamoyl)benzoic acid

3-(dimethylsulfamoyl)benzoic acid

CAS: 7326-73-0

Formula: C9H11NO4S

SMILES: CN(C)S(=O)(=O)C1=CC(=CC=C1)C(O)=O

IUPAC: 3-(dimethylsulfamoyl)benzoic acid

InChI: InChI=1S/C9H11NO4S/c1-10(2)15(13,14)8-5-3-4-7(6-8)9(11)12/h3-6H,1-2H3,(H,11,12)

Composition: C (47.15%), H (4.84%), N (6.11%), O (27.92%), S (13.98%)

Molar Mass: 229.25

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.040879012
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZYUAOEFMKIYOPZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.27
Topological Polar Surface Area	74.68
Polarizability	21.7
Ring Count	1
Rotatable Bond Count	2

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