5-sulfamoylpyridin-3-ylboronic acid

5-sulfamoylpyridin-3-ylboronic acid

CAS: 951233-61-7

Formula: C5H7BN2O4S

SMILES: NS(=O)(=O)C1=CC(=CN=C1)B(O)O

IUPAC: (5-sulfamoylpyridin-3-yl)boronic acid

InChI: InChI=1S/C5H7BN2O4S/c7-13(11,12)5-1-4(6(9)10)2-8-3-5/h1-3,9-10H,(H2,7,11,12)

Composition: C (29.73%), H (3.49%), B (5.35%), N (13.87%), O (31.68%), S (15.87%)

Molar Mass: 201.99

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.021958
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	PEQGNKIHPKDYFA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.6
Topological Polar Surface Area	113.51
Polarizability	18.06
Ring Count	1
Rotatable Bond Count	2

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