N-cyano-2-(4-ethylphenyl)benzenesulfonamide

C15H14N2O2S — CID 18719905

IUPACN-cyano-2-(4-ethylphenyl)benzenesulfonamide
SMILESCCc1ccc(-c2ccccc2S(=O)(=O)NC#N)cc1
InChIInChI=1S/C15H14N2O2S/c1-2-12-7-9-13(10-8-12)14-5-3-4-6-15(14)20(18,19)17-11-16/h3-10,17H,2H2,1H3
InChIKeyIMJVEIUPWZBRMB-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.68
Rot. Bonds4

About N-cyano-2-(4-ethylphenyl)benzenesulfonamide

N-cyano-2-(4-ethylphenyl)benzenesulfonamide (PubChem CID 18719905) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-cyano-2-(4-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyano-2-(4-ethylphenyl)benzenesulfonamide
PubChem CID18719905
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-cyano-2-(4-ethylphenyl)benzenesulfonamide
SMILESCCc1ccc(-c2ccccc2S(=O)(=O)NC#N)cc1
InChIInChI=1S/C15H14N2O2S/c1-2-12-7-9-13(10-8-12)14-5-3-4-6-15(14)20(18,19)17-11-16/h3-10,17H,2H2,1H3
InChIKeyIMJVEIUPWZBRMB-UHFFFAOYSA-N
XLogP2.68
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-cyano-2-[4-(2-cyclohexylethyl)phenyl]benzenesulfonamide
CID 15406904
N-cyano-4-(2-ethylphenyl)benzenesulfonamide
CID 18719907
N-cyano-2-[4-(cyclohexylidenemethyl)phenyl]benzenesulfonamide
CID 15406898
2-[4-[(2-butyl-5-cyano-4-methoxyimidazol-1-yl)methyl]phenyl]-N-cyanobenzenesulfonamide
CID 18400072
N-benzyl-N-[[4-[2-(cyanosulfamoyl)phenyl]phenyl]methyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 22620013
5-[(N-benzyl-2-methylanilino)methyl]-N-cyano-2-phenylbenzenesulfonamide
CID 174409136
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
1-chloro-4-[2-(4-ethylphenyl)phenyl]benzene
CID 166659313
4-(2-methylsulfonylphenyl)benzonitrile
CID 22323113
[4-(2-methylsulfonylphenyl)phenyl]methanamine
CID 15551924
1-ethyl-4-(2-ethynylphenyl)benzene
CID 142217203
1-ethyl-4-(2-nitrosophenyl)benzene
CID 87431486

Frequently Asked Questions

What is the IUPAC name of N-cyano-2-(4-ethylphenyl)benzenesulfonamide?
The IUPAC name of N-cyano-2-(4-ethylphenyl)benzenesulfonamide (CID 18719905) is N-cyano-2-(4-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for N-cyano-2-(4-ethylphenyl)benzenesulfonamide?
The canonical SMILES for N-cyano-2-(4-ethylphenyl)benzenesulfonamide is CCc1ccc(-c2ccccc2S(=O)(=O)NC#N)cc1.
What is the InChIKey of N-cyano-2-(4-ethylphenyl)benzenesulfonamide?
The InChIKey is IMJVEIUPWZBRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-12-7-9-13(10-8-12)14-5-3-4-6-15(14)20(18,19)17-11-16/h3-10,17H,2H2,1H3.
What are the key properties of N-cyano-2-(4-ethylphenyl)benzenesulfonamide?
N-cyano-2-(4-ethylphenyl)benzenesulfonamide has a molecular weight of 286.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-(4-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 18719905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).