3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide

C20H23N3O2S — CID 26542199

IUPAC3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1
InChIInChI=1S/C20H23N3O2S/c21-14-17-7-6-10-20(13-17)26(24,25)22-15-18-8-2-3-9-19(18)16-23-11-4-1-5-12-23/h2-3,6-10,13,22H,1,4-5,11-12,15-16H2
InChIKeyMGUAWCMUPQKORJ-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.02
Rot. Bonds6

About 3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide

3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 26542199) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID26542199
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1
InChIInChI=1S/C20H23N3O2S/c21-14-17-7-6-10-20(13-17)26(24,25)22-15-18-8-2-3-9-19(18)16-23-11-4-1-5-12-23/h2-3,6-10,13,22H,1,4-5,11-12,15-16H2
InChIKeyMGUAWCMUPQKORJ-UHFFFAOYSA-N
XLogP3.02
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]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

3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 55904626
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 26542141
3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 47006104
3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665417
3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060484
4-bromo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 38258362
2-oxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 9452865
N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide
CID 43598192
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
N-[(1-aminocyclobutyl)methyl]-3-cyanobenzenesulfonamide
CID 113411802
3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232055
3-cyano-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994501

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide (CID 26542199) is 3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1.
What is the InChIKey of 3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is MGUAWCMUPQKORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c21-14-17-7-6-10-20(13-17)26(24,25)22-15-18-8-2-3-9-19(18)16-23-11-4-1-5-12-23/h2-3,6-10,13,22H,1,4-5,11-12,15-16H2.
What are the key properties of 3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 26542199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).