1-(4-fluorobenzenesulfonyl)pyrrolidine-3-carboxylic acid

1-(4-fluorobenzenesulfonyl)pyrrolidine-3-carboxylic acid

CAS: 1171916-98-5

Formula: C11H12FNO4S

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

IUPAC: 1-(4-fluorobenzenesulfonyl)pyrrolidine-3-carboxylic acid

InChI: InChI=1/C11H12FNO4S/c12-9-1-3-10(4-2-9)18(16,17)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)

Composition: C (48.35%), H (4.43%), F (6.95%), N (5.13%), O (23.42%), S (11.73%)

Molar Mass: 273.28

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	273.047107207
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FIDOKJCISOZSBN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.85
Topological Polar Surface Area	74.68
Polarizability	24.46
Ring Count	2
Rotatable Bond Count	2

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