4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C14H13N3O2S — CID 1460128

IUPAC4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C14H13N3O2S/c15-11-13-1-3-14(4-2-13)20(18,19)17-10-7-12-5-8-16-9-6-12/h1-6,8-9,17H,7,10H2
InChIKeyBPSDQYGDAWHWJZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.47
Rot. Bonds5

About 4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide

4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 1460128) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID1460128
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C14H13N3O2S/c15-11-13-1-3-14(4-2-13)20(18,19)17-10-7-12-5-8-16-9-6-12/h1-6,8-9,17H,7,10H2
InChIKeyBPSDQYGDAWHWJZ-UHFFFAOYSA-N
XLogP1.47
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 1460128) is 4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCc2ccncc2)cc1.
What is the InChIKey of 4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is BPSDQYGDAWHWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c15-11-13-1-3-14(4-2-13)20(18,19)17-10-7-12-5-8-16-9-6-12/h1-6,8-9,17H,7,10H2.
What are the key properties of 4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1460128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).