N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide

C14H19ClN2O3S — CID 71805739

IUPACN-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide
SMILESCS(=O)(=O)C1CCN(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-21(19,20)13-6-8-17(9-7-13)14(18)16-10-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H,16,18)
InChIKeyCBUWFOQTXSUEFA-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.06
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide

N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide (PubChem CID 71805739) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide
PubChem CID71805739
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide
SMILESCS(=O)(=O)C1CCN(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-21(19,20)13-6-8-17(9-7-13)14(18)16-10-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H,16,18)
InChIKeyCBUWFOQTXSUEFA-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide 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 N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide (CID 71805739) is N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide is CS(=O)(=O)C1CCN(C(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide?
The InChIKey is CBUWFOQTXSUEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-21(19,20)13-6-8-17(9-7-13)14(18)16-10-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H,16,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 71805739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).