N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide

C15H15N3O2S — CID 47956780

IUPACN-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
SMILESN#Cc1cccc(CNS(=O)(=O)CCc2ccccn2)c1
InChIInChI=1S/C15H15N3O2S/c16-11-13-4-3-5-14(10-13)12-18-21(19,20)9-7-15-6-1-2-8-17-15/h1-6,8,10,18H,7,9,12H2
InChIKeyCBRAAFHLFJRCGZ-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.62
Rot. Bonds6

About N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide

N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide (PubChem CID 47956780) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
PubChem CID47956780
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
SMILESN#Cc1cccc(CNS(=O)(=O)CCc2ccccn2)c1
InChIInChI=1S/C15H15N3O2S/c16-11-13-4-3-5-14(10-13)12-18-21(19,20)9-7-15-6-1-2-8-17-15/h1-6,8,10,18H,7,9,12H2
InChIKeyCBRAAFHLFJRCGZ-UHFFFAOYSA-N
XLogP1.62
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide 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-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 25042955
N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide
CID 55062177
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
CID 63296937
methyl 4-[(3-cyanophenyl)methylsulfamoyl]butanoate
CID 61460202
N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 75493390
1-[(3-cyanophenyl)methyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793779
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173
1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide
CID 87032785
3-(pyridin-2-ylsulfanylmethyl)benzonitrile
CID 2819343
N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 115365959

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide (CID 47956780) is N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide is N#Cc1cccc(CNS(=O)(=O)CCc2ccccn2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide?
The InChIKey is CBRAAFHLFJRCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c16-11-13-4-3-5-14(10-13)12-18-21(19,20)9-7-15-6-1-2-8-17-15/h1-6,8,10,18H,7,9,12H2.
What are the key properties of N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide?
N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 47956780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).