1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine

C15H17ClN2O2S — CID 2822457

IUPAC1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(n2cccc2)CC1
InChIInChI=1S/C15H17ClN2O2S/c16-13-3-5-15(6-4-13)21(19,20)18-11-7-14(8-12-18)17-9-1-2-10-17/h1-6,9-10,14H,7-8,11-12H2
InChIKeyVKZPWZXMHGZWDZ-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.17
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine

1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine (PubChem CID 2822457) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine
PubChem CID2822457
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(n2cccc2)CC1
InChIInChI=1S/C15H17ClN2O2S/c16-13-3-5-15(6-4-13)21(19,20)18-11-7-14(8-12-18)17-9-1-2-10-17/h1-6,9-10,14H,7-8,11-12H2
InChIKeyVKZPWZXMHGZWDZ-UHFFFAOYSA-N
XLogP3.17
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine (CID 2822457) is 1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine is O=S(=O)(c1ccc(Cl)cc1)N1CCC(n2cccc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine?
The InChIKey is VKZPWZXMHGZWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-13-3-5-15(6-4-13)21(19,20)18-11-7-14(8-12-18)17-9-1-2-10-17/h1-6,9-10,14H,7-8,11-12H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine?
1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine has a molecular weight of 324.83 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-pyrrol-1-ylpiperidine is sourced from PubChem (CID 2822457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).