4-(dimethylsulfamoyl)-2-methylphenylboronic acid

4-(dimethylsulfamoyl)-2-methylphenylboronic acid

CAS: 957034-82-1

Formula: C9H14BNO4S

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

IUPAC: [4-(dimethylsulfamoyl)-2-methylphenyl]boronic acid

InChI: InChI=1S/C9H14BNO4S/c1-7-6-8(16(14,15)11(2)3)4-5-9(7)10(12)13/h4-6,12-13H,1-3H3

Composition: C (44.47%), H (5.81%), B (4.45%), N (5.76%), O (26.33%), S (13.19%)

Molar Mass: 243.08

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.073659
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KNKDICZGYPFTBK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.6
Topological Polar Surface Area	77.84
Polarizability	24.3
Ring Count	1
Rotatable Bond Count	2

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