N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide

C13H15FN2O2S — CID 82015241

IUPACN-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H15FN2O2S/c14-11-6-7-13(10(8-11)9-15)16-19(17,18)12-4-2-1-3-5-12/h6-8,12,16H,1-5H2
InChIKeyAJQZSHHLZMRYHZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.77
Rot. Bonds3

About N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide

N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide (PubChem CID 82015241) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
PubChem CID82015241
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC NameN-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H15FN2O2S/c14-11-6-7-13(10(8-11)9-15)16-19(17,18)12-4-2-1-3-5-12/h6-8,12,16H,1-5H2
InChIKeyAJQZSHHLZMRYHZ-UHFFFAOYSA-N
XLogP2.77
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide (CID 82015241) is N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide is N#Cc1cc(F)ccc1NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide?
The InChIKey is AJQZSHHLZMRYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c14-11-6-7-13(10(8-11)9-15)16-19(17,18)12-4-2-1-3-5-12/h6-8,12,16H,1-5H2.
What are the key properties of N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide?
N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide has a molecular weight of 282.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide is sourced from PubChem (CID 82015241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).