1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid

C18H18ClNO4S — CID 71455288

IUPAC1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2Cl)C1
InChIInChI=1S/C18H18ClNO4S/c19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)25(23,24)20-11-5-6-13(12-20)18(21)22/h1-4,7-10,13H,5-6,11-12H2,(H,21,22)
InChIKeyCJJBKJQFJWSFBM-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.49
Rot. Bonds4

About 1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid

1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid (PubChem CID 71455288) has the molecular formula C18H18ClNO4S and a molecular weight of 379.87 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid
PubChem CID71455288
Molecular FormulaC18H18ClNO4S
Molecular Weight379.87 g/mol
Exact Mass379.06
IUPAC Name1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2Cl)C1
InChIInChI=1S/C18H18ClNO4S/c19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)25(23,24)20-11-5-6-13(12-20)18(21)22/h1-4,7-10,13H,5-6,11-12H2,(H,21,22)
InChIKeyCJJBKJQFJWSFBM-UHFFFAOYSA-N
XLogP3.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid 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-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid (CID 71455288) is 1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2Cl)C1.
What is the InChIKey of 1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid?
The InChIKey is CJJBKJQFJWSFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4S/c19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)25(23,24)20-11-5-6-13(12-20)18(21)22/h1-4,7-10,13H,5-6,11-12H2,(H,21,22).
What are the key properties of 1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid?
1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid has a molecular weight of 379.87 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)phenyl]sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 71455288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).