2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine

C17H18ClNO2S — CID 11221364

IUPAC2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCCC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2S/c1-13-4-10-16(11-5-13)22(20,21)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h4-11,17H,2-3,12H2,1H3
InChIKeyVYBSPEXXBNSDGV-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.17
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine

2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 11221364) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID11221364
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCCC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2S/c1-13-4-10-16(11-5-13)22(20,21)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h4-11,17H,2-3,12H2,1H3
InChIKeyVYBSPEXXBNSDGV-UHFFFAOYSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine (CID 11221364) is 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2CCCC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is VYBSPEXXBNSDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-13-4-10-16(11-5-13)22(20,21)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h4-11,17H,2-3,12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 335.86 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 11221364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).