N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide

C13H17N3O2S — CID 28785025

IUPACN-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C13H17N3O2S/c1-11-6-8-16(9-7-11)19(17,18)15-13-5-3-2-4-12(13)10-14/h2-5,11,15H,6-9H2,1H3
InChIKeyPTYAUGMVMMTGNI-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.95
Rot. Bonds3

About N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide

N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 28785025) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide
PubChem CID28785025
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C13H17N3O2S/c1-11-6-8-16(9-7-11)19(17,18)15-13-5-3-2-4-12(13)10-14/h2-5,11,15H,6-9H2,1H3
InChIKeyPTYAUGMVMMTGNI-UHFFFAOYSA-N
XLogP1.95
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide
CID 43369772
N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide
CID 107808236
2-[(4-methylpiperidin-1-yl)sulfonylamino]benzenecarbothioamide
CID 28509217
2-(4-methylpiperidin-1-yl)benzonitrile
CID 14931104
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325
4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide
CID 29274184
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299
N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110865909
N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 28783386
N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
CID 63257526
1-(2-cyanophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992543
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide (CID 28785025) is N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)Nc2ccccc2C#N)CC1.
What is the InChIKey of N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is PTYAUGMVMMTGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-11-6-8-16(9-7-11)19(17,18)15-13-5-3-2-4-12(13)10-14/h2-5,11,15H,6-9H2,1H3.
What are the key properties of N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide?
N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 279.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 28785025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).