N-cyclohexyl-2-fluoro-4-methylsulfonylaniline

C13H18FNO2S — CID 4247537

IUPACN-cyclohexyl-2-fluoro-4-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(NC2CCCCC2)c(F)c1
InChIInChI=1S/C13H18FNO2S/c1-18(16,17)11-7-8-13(12(14)9-11)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3
InChIKeyWGLQAIUEACWLIY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.97
Rot. Bonds3

About N-cyclohexyl-2-fluoro-4-methylsulfonylaniline

N-cyclohexyl-2-fluoro-4-methylsulfonylaniline (PubChem CID 4247537) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N-cyclohexyl-2-fluoro-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-cyclohexyl-2-fluoro-4-methylsulfonylaniline
PubChem CID4247537
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN-cyclohexyl-2-fluoro-4-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(NC2CCCCC2)c(F)c1
InChIInChI=1S/C13H18FNO2S/c1-18(16,17)11-7-8-13(12(14)9-11)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3
InChIKeyWGLQAIUEACWLIY-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-fluoro-4-methylsulfonylaniline?
The IUPAC name of N-cyclohexyl-2-fluoro-4-methylsulfonylaniline (CID 4247537) is N-cyclohexyl-2-fluoro-4-methylsulfonylaniline.
What is the SMILES notation for N-cyclohexyl-2-fluoro-4-methylsulfonylaniline?
The canonical SMILES for N-cyclohexyl-2-fluoro-4-methylsulfonylaniline is CS(=O)(=O)c1ccc(NC2CCCCC2)c(F)c1.
What is the InChIKey of N-cyclohexyl-2-fluoro-4-methylsulfonylaniline?
The InChIKey is WGLQAIUEACWLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-18(16,17)11-7-8-13(12(14)9-11)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-2-fluoro-4-methylsulfonylaniline?
N-cyclohexyl-2-fluoro-4-methylsulfonylaniline has a molecular weight of 271.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-fluoro-4-methylsulfonylaniline is sourced from PubChem (CID 4247537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).