3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide

C14H13N3O2S — CID 43396049

IUPAC3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(C#N)c1)c1ccncc1
InChIInChI=1S/C14H13N3O2S/c1-11(13-5-7-16-8-6-13)17-20(18,19)14-4-2-3-12(9-14)10-15/h2-9,11,17H,1H3
InChIKeyILNYQCQMIQJTPX-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.99
Rot. Bonds4

About 3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide

3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 43396049) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID43396049
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(C#N)c1)c1ccncc1
InChIInChI=1S/C14H13N3O2S/c1-11(13-5-7-16-8-6-13)17-20(18,19)14-4-2-3-12(9-14)10-15/h2-9,11,17H,1H3
InChIKeyILNYQCQMIQJTPX-UHFFFAOYSA-N
XLogP1.99
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-(1-pyridin-4-ylethyl)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 3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide (CID 43396049) is 3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cccc(C#N)c1)c1ccncc1.
What is the InChIKey of 3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is ILNYQCQMIQJTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-11(13-5-7-16-8-6-13)17-20(18,19)14-4-2-3-12(9-14)10-15/h2-9,11,17H,1H3.
What are the key properties of 3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43396049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).