1-(2,5-difluorobenzenesulfonyl)piperidine-4-carboxylic acid

1-(2,5-difluorobenzenesulfonyl)piperidine-4-carboxylic acid

Formula: C12H13F2NO4S

SMILES: OC(=O)C1CCN(CC1)S(=O)(=O)C1=C(F)C=CC(F)=C1

IUPAC: 1-(2,5-difluorobenzenesulfonyl)piperidine-4-carboxylic acid

InChI: InChI=1S/C12H13F2NO4S/c13-9-1-2-10(14)11(7-9)20(18,19)15-5-3-8(4-6-15)12(16)17/h1-2,7-8H,3-6H2,(H,16,17)

Composition: C (47.21%), H (4.29%), F (12.45%), N (4.59%), O (20.96%), S (10.50%)

Molar Mass: 305.3

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	305.053335403
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MPMKKDOZHAINKD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.82
Topological Polar Surface Area	74.68
Polarizability	26.09
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H13F2NO4S		Quote Only