4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide

C18H19N3O2S — CID 2814037

IUPAC4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C18H19N3O2S/c19-14-15-8-10-16(11-9-15)24(22,23)20-17-6-2-3-7-18(17)21-12-4-1-5-13-21/h2-3,6-11,20H,1,4-5,12-13H2
InChIKeyAYEXBRXHYKZJEH-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.35
Rot. Bonds4

About 4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide

4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 2814037) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID2814037
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C18H19N3O2S/c19-14-15-8-10-16(11-9-15)24(22,23)20-17-6-2-3-7-18(17)21-12-4-1-5-13-21/h2-3,6-11,20H,1,4-5,12-13H2
InChIKeyAYEXBRXHYKZJEH-UHFFFAOYSA-N
XLogP3.35
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide 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

4-cyano-N-[2-(4-pyridin-4-ylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 54554515
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475
N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide
CID 169372874
N-methyl-4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 17496437
4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 51263382
4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3856559
4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 8823611
4-[(2-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 43231332
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732
4-N,4-N-dimethyl-2-N-(2-piperidin-1-ylphenyl)thiophene-2,4-disulfonamide
CID 175714104
4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 4584042
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169371936

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide (CID 2814037) is 4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1.
What is the InChIKey of 4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is AYEXBRXHYKZJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c19-14-15-8-10-16(11-9-15)24(22,23)20-17-6-2-3-7-18(17)21-12-4-1-5-13-21/h2-3,6-11,20H,1,4-5,12-13H2.
What are the key properties of 4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 2814037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).