4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one

C16H15ClN2O3S — CID 110419985

IUPAC4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2ccccc2Cl)C1c1ccccc1
InChIInChI=1S/C16H15ClN2O3S/c17-13-8-4-5-9-14(13)23(21,22)19-11-10-18-16(20)15(19)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,18,20)
InChIKeyBANKZYOFGPUVKW-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.20
Rot. Bonds3

About 4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one

4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one (PubChem CID 110419985) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
PubChem CID110419985
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2ccccc2Cl)C1c1ccccc1
InChIInChI=1S/C16H15ClN2O3S/c17-13-8-4-5-9-14(13)23(21,22)19-11-10-18-16(20)15(19)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,18,20)
InChIKeyBANKZYOFGPUVKW-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one 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)sulfonyl-3-phenylpiperazin-2-one?
The IUPAC name of 4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one (CID 110419985) is 4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one?
The canonical SMILES for 4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one is O=C1NCCN(S(=O)(=O)c2ccccc2Cl)C1c1ccccc1.
What is the InChIKey of 4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one?
The InChIKey is BANKZYOFGPUVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c17-13-8-4-5-9-14(13)23(21,22)19-11-10-18-16(20)15(19)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,18,20).
What are the key properties of 4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one?
4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one has a molecular weight of 350.83 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one is sourced from PubChem (CID 110419985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).