(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine

C10H11ClFNO2S — CID 67496571

IUPAC(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(F)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C10H11ClFNO2S/c11-9-5-7(12)1-2-10(9)16(14,15)8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2/t8-/m0/s1
InChIKeyHCGUXXHBSCUNKC-QMMMGPOBSA-N
MW263.72 g/mol
LogP1.61
Rot. Bonds2

About (3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine

(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine (PubChem CID 67496571) has the molecular formula C10H11ClFNO2S and a molecular weight of 263.72 g/mol. Its IUPAC name is (3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine
PubChem CID67496571
Molecular FormulaC10H11ClFNO2S
Molecular Weight263.72 g/mol
Exact Mass263.02
IUPAC Name(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(F)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C10H11ClFNO2S/c11-9-5-7(12)1-2-10(9)16(14,15)8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2/t8-/m0/s1
InChIKeyHCGUXXHBSCUNKC-QMMMGPOBSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine?
The IUPAC name of (3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine (CID 67496571) is (3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for (3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for (3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(F)cc1Cl)[C@H]1CCNC1.
What is the InChIKey of (3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine?
The InChIKey is HCGUXXHBSCUNKC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11ClFNO2S/c11-9-5-7(12)1-2-10(9)16(14,15)8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2/t8-/m0/s1.
What are the key properties of (3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine?
(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine has a molecular weight of 263.72 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 67496571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).