1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine

C23H29ClN2O2S — CID 118308419

IUPAC1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC2)CC1
InChIInChI=1S/C23H29ClN2O2S/c1-18-10-14-25(15-11-18)22-12-16-26(17-13-22)29(27,28)23-8-4-20(5-9-23)19-2-6-21(24)7-3-19/h2-9,18,22H,10-17H2,1H3
InChIKeyHTVDTVBHNWDWIA-UHFFFAOYSA-N
MW433.02 g/mol
LogP4.89
Rot. Bonds4

About 1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine

1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine (PubChem CID 118308419) has the molecular formula C23H29ClN2O2S and a molecular weight of 433.02 g/mol. Its IUPAC name is 1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
PubChem CID118308419
Molecular FormulaC23H29ClN2O2S
Molecular Weight433.02 g/mol
Exact Mass432.16
IUPAC Name1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC2)CC1
InChIInChI=1S/C23H29ClN2O2S/c1-18-10-14-25(15-11-18)22-12-16-26(17-13-22)29(27,28)23-8-4-20(5-9-23)19-2-6-21(24)7-3-19/h2-9,18,22H,10-17H2,1H3
InChIKeyHTVDTVBHNWDWIA-UHFFFAOYSA-N
XLogP4.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.02
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine 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 1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine (CID 118308419) is 1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine is CC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC2)CC1.
What is the InChIKey of 1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
The InChIKey is HTVDTVBHNWDWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2S/c1-18-10-14-25(15-11-18)22-12-16-26(17-13-22)29(27,28)23-8-4-20(5-9-23)19-2-6-21(24)7-3-19/h2-9,18,22H,10-17H2,1H3.
What are the key properties of 1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine has a molecular weight of 433.02 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 118308419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).