N-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide

C14H16F2N2O2S — CID 61122132

IUPACN-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide
SMILESN#CC(NS(=O)(=O)c1cc(F)ccc1F)C1CCCCC1
InChIInChI=1S/C14H16F2N2O2S/c15-11-6-7-12(16)14(8-11)21(19,20)18-13(9-17)10-4-2-1-3-5-10/h6-8,10,13,18H,1-5H2
InChIKeyZHUOJNOZZJJYAI-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.72
Rot. Bonds4

About N-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide

N-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide (PubChem CID 61122132) has the molecular formula C14H16F2N2O2S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide
PubChem CID61122132
Molecular FormulaC14H16F2N2O2S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide
SMILESN#CC(NS(=O)(=O)c1cc(F)ccc1F)C1CCCCC1
InChIInChI=1S/C14H16F2N2O2S/c15-11-6-7-12(16)14(8-11)21(19,20)18-13(9-17)10-4-2-1-3-5-10/h6-8,10,13,18H,1-5H2
InChIKeyZHUOJNOZZJJYAI-UHFFFAOYSA-N
XLogP2.72
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119983602
2-cycloheptyl-2-(2,4-difluorophenyl)sulfonylacetonitrile
CID 82933653
2-cyclopentyl-2-(2,4-difluorophenyl)sulfonylacetonitrile
CID 82933692
4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
CID 61123792
N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide
CID 65032633
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43344425
3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid
CID 81389280
5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
CID 106066036
N-[(3-chlorocyclohexyl)methyl]-2,5-difluorobenzenesulfonamide
CID 106135987
N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide
CID 51097293
N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide (CID 61122132) is N-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide is N#CC(NS(=O)(=O)c1cc(F)ccc1F)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is ZHUOJNOZZJJYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2S/c15-11-6-7-12(16)14(8-11)21(19,20)18-13(9-17)10-4-2-1-3-5-10/h6-8,10,13,18H,1-5H2.
What are the key properties of N-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide?
N-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 314.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 61122132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).