2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine

C13H17F2NO2S — CID 64645052

IUPAC2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO2S/c1-16-11-4-2-3-5-13(11)19(17,18)12-7-6-9(14)8-10(12)15/h6-8,11,13,16H,2-5H2,1H3
InChIKeyOKQIFCKHCFKXEY-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.27
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine

2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine (PubChem CID 64645052) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
PubChem CID64645052
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC Name2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO2S/c1-16-11-4-2-3-5-13(11)19(17,18)12-7-6-9(14)8-10(12)15/h6-8,11,13,16H,2-5H2,1H3
InChIKeyOKQIFCKHCFKXEY-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine (CID 64645052) is 2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine is CNC1CCCCC1S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
The InChIKey is OKQIFCKHCFKXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c1-16-11-4-2-3-5-13(11)19(17,18)12-7-6-9(14)8-10(12)15/h6-8,11,13,16H,2-5H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64645052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).