2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide

C13H15F4NO2S — CID 60722057

IUPAC2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1C(F)(F)F)c1ccccc1F
InChIInChI=1S/C13H15F4NO2S/c14-10-6-2-4-8-12(10)21(19,20)18-11-7-3-1-5-9(11)13(15,16)17/h2,4,6,8-9,11,18H,1,3,5,7H2
InChIKeyQTDXXWHWGLQIKZ-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.23
Rot. Bonds3

About 2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide

2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 60722057) has the molecular formula C13H15F4NO2S and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
PubChem CID60722057
Molecular FormulaC13H15F4NO2S
Molecular Weight325.33 g/mol
Exact Mass325.08
IUPAC Name2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1C(F)(F)F)c1ccccc1F
InChIInChI=1S/C13H15F4NO2S/c14-10-6-2-4-8-12(10)21(19,20)18-11-7-3-1-5-9(11)13(15,16)17/h2,4,6,8-9,11,18H,1,3,5,7H2
InChIKeyQTDXXWHWGLQIKZ-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide (CID 60722057) is 2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide is O=S(=O)(NC1CCCCC1C(F)(F)F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is QTDXXWHWGLQIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO2S/c14-10-6-2-4-8-12(10)21(19,20)18-11-7-3-1-5-9(11)13(15,16)17/h2,4,6,8-9,11,18H,1,3,5,7H2.
What are the key properties of 2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 325.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 60722057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).