2-cyano-N-(2-phenylethyl)benzenesulfonamide

C15H14N2O2S — CID 3500877

IUPAC2-cyano-N-(2-phenylethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C15H14N2O2S/c16-12-14-8-4-5-9-15(14)20(18,19)17-11-10-13-6-2-1-3-7-13/h1-9,17H,10-11H2
InChIKeyNXUQRCMRVXAAGR-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.08
Rot. Bonds5

About 2-cyano-N-(2-phenylethyl)benzenesulfonamide

2-cyano-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 3500877) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-cyano-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-phenylethyl)benzenesulfonamide
PubChem CID3500877
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-cyano-N-(2-phenylethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C15H14N2O2S/c16-12-14-8-4-5-9-15(14)20(18,19)17-11-10-13-6-2-1-3-7-13/h1-9,17H,10-11H2
InChIKeyNXUQRCMRVXAAGR-UHFFFAOYSA-N
XLogP2.08
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 24710652
2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918399
2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 61061706
2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide
CID 110791145
N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 8713182
2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide
CID 3764247
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
CID 110711939
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide
CID 103836681
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
N-(3-azidopropyl)-2-cyanobenzenesulfonamide
CID 61344901

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-phenylethyl)benzenesulfonamide (CID 3500877) is 2-cyano-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-phenylethyl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 2-cyano-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is NXUQRCMRVXAAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-12-14-8-4-5-9-15(14)20(18,19)17-11-10-13-6-2-1-3-7-13/h1-9,17H,10-11H2.
What are the key properties of 2-cyano-N-(2-phenylethyl)benzenesulfonamide?
2-cyano-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 286.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 3500877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).