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

C14H13N3O2S — CID 24710652

IUPAC2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C14H13N3O2S/c15-11-12-5-1-2-7-14(12)20(18,19)17-10-8-13-6-3-4-9-16-13/h1-7,9,17H,8,10H2
InChIKeyJNDBZAKKVMUSBA-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.47
Rot. Bonds5

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

2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 24710652) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID24710652
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C14H13N3O2S/c15-11-12-5-1-2-7-14(12)20(18,19)17-10-8-13-6-3-4-9-16-13/h1-7,9,17H,8,10H2
InChIKeyJNDBZAKKVMUSBA-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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Related Compounds

2-hydroxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 81241460
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
2,3-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104213
2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile
CID 133498376
2,5-dichloro-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
CID 4657628
2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide
CID 3764247
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
CID 110711939
2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918399
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
2-chloro-4-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 32673521
8-methyl-N-(2-pyridin-2-ylethyl)quinoline-5-sulfonamide
CID 134034355
4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 116528063

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 24710652) is 2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCCc1ccccn1.
What is the InChIKey of 2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is JNDBZAKKVMUSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c15-11-12-5-1-2-7-14(12)20(18,19)17-10-8-13-6-3-4-9-16-13/h1-7,9,17H,8,10H2.
What are the key properties of 2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
2-cyano-N-(2-pyridin-2-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 2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 24710652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).