4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide

C19H22N2O3S — CID 1049835

IUPAC4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-9-11-16(12-10-15)25(23,24)20-18-8-4-3-7-17(18)19(22)21-13-5-2-6-14-21/h3-4,7-12,20H,2,5-6,13-14H2,1H3
InChIKeyFMTLCHMDCODKFY-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.42
Rot. Bonds4

About 4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide

4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 1049835) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID1049835
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-9-11-16(12-10-15)25(23,24)20-18-8-4-3-7-17(18)19(22)21-13-5-2-6-14-21/h3-4,7-12,20H,2,5-6,13-14H2,1H3
InChIKeyFMTLCHMDCODKFY-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide 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-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 1049835) is 4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is FMTLCHMDCODKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-9-11-16(12-10-15)25(23,24)20-18-8-4-3-7-17(18)19(22)21-13-5-2-6-14-21/h3-4,7-12,20H,2,5-6,13-14H2,1H3.
What are the key properties of 4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1049835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).