[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone

C19H20ClNO3S — CID 156810840

IUPAC[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(CS(=O)(=O)c2ccccc2Cl)cc1)N1CCCCC1
InChIInChI=1S/C19H20ClNO3S/c20-17-6-2-3-7-18(17)25(23,24)14-15-8-10-16(11-9-15)19(22)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2
InChIKeyBZRPWCIZMKCPGX-UHFFFAOYSA-N
MW377.89 g/mol
LogP3.94
Rot. Bonds4

About [4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone

[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 156810840) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone
PubChem CID156810840
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC Name[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(CS(=O)(=O)c2ccccc2Cl)cc1)N1CCCCC1
InChIInChI=1S/C19H20ClNO3S/c20-17-6-2-3-7-18(17)25(23,24)14-15-8-10-16(11-9-15)19(22)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2
InChIKeyBZRPWCIZMKCPGX-UHFFFAOYSA-N
XLogP3.94
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone 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 [4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone (CID 156810840) is [4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(CS(=O)(=O)c2ccccc2Cl)cc1)N1CCCCC1.
What is the InChIKey of [4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is BZRPWCIZMKCPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3S/c20-17-6-2-3-7-18(17)25(23,24)14-15-8-10-16(11-9-15)19(22)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2.
What are the key properties of [4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone?
[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 377.89 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 156810840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).