2-(benzylsulfamoyl)-5-methylphenylboronic acid

2-(benzylsulfamoyl)-5-methylphenylboronic acid

CAS: 1072946-63-4

Formula: C14H16BNO4S

SMILES: CC1=CC=C(C(=C1)B(O)O)S(=O)(=O)NCC1=CC=CC=C1

IUPAC: [2-(benzylsulfamoyl)-5-methylphenyl]boronic acid

InChI: InChI=1S/C14H16BNO4S/c1-11-7-8-14(13(9-11)15(17)18)21(19,20)16-10-12-5-3-2-4-6-12/h2-9,16-18H,10H2,1H3

Composition: C (55.10%), H (5.29%), B (3.54%), N (4.59%), O (20.97%), S (10.51%)

Molar Mass: 305.16

Atom Count: 37

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	305.089309
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	HHRKXIUUPXKKLE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.31
Topological Polar Surface Area	86.63
Polarizability	32.01
Ring Count	2
Rotatable Bond Count	4

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