4-methanesulfonamidophenylboronic acid

4-methanesulfonamidophenylboronic acid

CAS: 380430-57-9

Formula: C7H10BNO4S

SMILES: CS(=O)(=O)NC1=CC=C(C=C1)B(O)O

IUPAC: (4-methanesulfonamidophenyl)boronic acid

InChI: InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9-11H,1H3

Composition: C (39.10%), H (4.69%), B (5.03%), N (6.51%), O (29.76%), S (14.91%)

Molar Mass: 215.03

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.042359
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	NDVJJEADFLTFCD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.29
Topological Polar Surface Area	86.63
Polarizability	20.74
Ring Count	1
Rotatable Bond Count	2

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