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

C15H14N2O2S — CID 18719907

IUPACN-cyano-4-(2-ethylphenyl)benzenesulfonamide
SMILESCCc1ccccc1-c1ccc(S(=O)(=O)NC#N)cc1
InChIInChI=1S/C15H14N2O2S/c1-2-12-5-3-4-6-15(12)13-7-9-14(10-8-13)20(18,19)17-11-16/h3-10,17H,2H2,1H3
InChIKeyJECCRROSIVHTRS-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.68
Rot. Bonds4

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

N-cyano-4-(2-ethylphenyl)benzenesulfonamide (PubChem CID 18719907) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-cyano-4-(2-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyano-4-(2-ethylphenyl)benzenesulfonamide
PubChem CID18719907
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-cyano-4-(2-ethylphenyl)benzenesulfonamide
SMILESCCc1ccccc1-c1ccc(S(=O)(=O)NC#N)cc1
InChIInChI=1S/C15H14N2O2S/c1-2-12-5-3-4-6-15(12)13-7-9-14(10-8-13)20(18,19)17-11-16/h3-10,17H,2H2,1H3
InChIKeyJECCRROSIVHTRS-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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Frequently Asked Questions

What is the IUPAC name of N-cyano-4-(2-ethylphenyl)benzenesulfonamide?
The IUPAC name of N-cyano-4-(2-ethylphenyl)benzenesulfonamide (CID 18719907) is N-cyano-4-(2-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for N-cyano-4-(2-ethylphenyl)benzenesulfonamide?
The canonical SMILES for N-cyano-4-(2-ethylphenyl)benzenesulfonamide is CCc1ccccc1-c1ccc(S(=O)(=O)NC#N)cc1.
What is the InChIKey of N-cyano-4-(2-ethylphenyl)benzenesulfonamide?
The InChIKey is JECCRROSIVHTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-12-5-3-4-6-15(12)13-7-9-14(10-8-13)20(18,19)17-11-16/h3-10,17H,2H2,1H3.
What are the key properties of N-cyano-4-(2-ethylphenyl)benzenesulfonamide?
N-cyano-4-(2-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-4-(2-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 18719907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).