(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine

C10H12ClNO2S — CID 67495805

IUPAC(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccccc1Cl)[C@H]1CCNC1
InChIInChI=1S/C10H12ClNO2S/c11-9-3-1-2-4-10(9)15(13,14)8-5-6-12-7-8/h1-4,8,12H,5-7H2/t8-/m0/s1
InChIKeyGQXCTNOGKLWGSJ-QMMMGPOBSA-N
MW245.73 g/mol
LogP1.48
Rot. Bonds2

About (3S)-3-(2-chlorophenyl)sulfonylpyrrolidine

(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine (PubChem CID 67495805) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is (3S)-3-(2-chlorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine
PubChem CID67495805
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccccc1Cl)[C@H]1CCNC1
InChIInChI=1S/C10H12ClNO2S/c11-9-3-1-2-4-10(9)15(13,14)8-5-6-12-7-8/h1-4,8,12H,5-7H2/t8-/m0/s1
InChIKeyGQXCTNOGKLWGSJ-QMMMGPOBSA-N
XLogP1.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-chlorophenyl)sulfonylpyrrolidine?
The IUPAC name of (3S)-3-(2-chlorophenyl)sulfonylpyrrolidine (CID 67495805) is (3S)-3-(2-chlorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for (3S)-3-(2-chlorophenyl)sulfonylpyrrolidine?
The canonical SMILES for (3S)-3-(2-chlorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccccc1Cl)[C@H]1CCNC1.
What is the InChIKey of (3S)-3-(2-chlorophenyl)sulfonylpyrrolidine?
The InChIKey is GQXCTNOGKLWGSJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c11-9-3-1-2-4-10(9)15(13,14)8-5-6-12-7-8/h1-4,8,12H,5-7H2/t8-/m0/s1.
What are the key properties of (3S)-3-(2-chlorophenyl)sulfonylpyrrolidine?
(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine has a molecular weight of 245.73 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-chlorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 67495805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).