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1-(benzenesulfonyl)pyrrolidine-3-carboxylic acid

1-(benzenesulfonyl)pyrrolidine-3-carboxylic acid

CAS: 1384643-33-7

Formula: C11H13NO4S

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

IUPAC: 1-(benzenesulfonyl)pyrrolidine-3-carboxylic acid

InChI: InChI=1/C11H13NO4S/c13-11(14)9-6-7-12(8-9)17(15,16)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)

Composition: C (51.75%), H (5.13%), N (5.49%), O (25.07%), S (12.56%)

Molar Mass: 255.29

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 255.056529077
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey JVDVDNNZPHRWQF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.64
Topological Polar Surface Area 74.68
Polarizability 24.67
Ring Count 2
Rotatable Bond Count 2

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