3-(dimethylsulfamoyl)phenylboronic acid

3-(dimethylsulfamoyl)phenylboronic acid

CAS: 871329-59-8

Formula: C8H12BNO4S

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

IUPAC: [3-(dimethylsulfamoyl)phenyl]boronic acid

InChI: InChI=1S/C8H12BNO4S/c1-10(2)15(13,14)8-5-3-4-7(6-8)9(11)12/h3-6,11-12H,1-2H3

Composition: C (41.95%), H (5.28%), B (4.72%), N (6.12%), O (27.94%), S (14.00%)

Molar Mass: 229.06

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.058009
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SGERXKCDWJPIOS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.55
Topological Polar Surface Area	77.84
Polarizability	22.54
Ring Count	1
Rotatable Bond Count	2

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