2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide

C15H20N2O2S — CID 64747639

IUPAC2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2ccccc2C#N)C1
InChIInChI=1S/C15H20N2O2S/c1-2-12-6-5-8-14(10-12)17-20(18,19)15-9-4-3-7-13(15)11-16/h3-4,7,9,12,14,17H,2,5-6,8,10H2,1H3
InChIKeyDRQQNPXYACEYAW-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.81
Rot. Bonds4

About 2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide

2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide (PubChem CID 64747639) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide
PubChem CID64747639
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2ccccc2C#N)C1
InChIInChI=1S/C15H20N2O2S/c1-2-12-6-5-8-14(10-12)17-20(18,19)15-9-4-3-7-13(15)11-16/h3-4,7,9,12,14,17H,2,5-6,8,10H2,1H3
InChIKeyDRQQNPXYACEYAW-UHFFFAOYSA-N
XLogP2.81
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide (CID 64747639) is 2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide is CCC1CCCC(NS(=O)(=O)c2ccccc2C#N)C1.
What is the InChIKey of 2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide?
The InChIKey is DRQQNPXYACEYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-12-6-5-8-14(10-12)17-20(18,19)15-9-4-3-7-13(15)11-16/h3-4,7,9,12,14,17H,2,5-6,8,10H2,1H3.
What are the key properties of 2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide?
2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 64747639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).