N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide

C13H15F4NO2S — CID 52746543

IUPACN-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F4NO2S/c14-12-7-6-10(8-11(12)13(15,16)17)21(19,20)18-9-4-2-1-3-5-9/h6-9,18H,1-5H2
InChIKeyKRHUAIHOYAWIAL-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.46
Rot. Bonds3

About N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide

N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 52746543) has the molecular formula C13H15F4NO2S and a molecular weight of 325.33 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID52746543
Molecular FormulaC13H15F4NO2S
Molecular Weight325.33 g/mol
Exact Mass325.08
IUPAC NameN-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F4NO2S/c14-12-7-6-10(8-11(12)13(15,16)17)21(19,20)18-9-4-2-1-3-5-9/h6-9,18H,1-5H2
InChIKeyKRHUAIHOYAWIAL-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide
CID 165368850
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 28551952
4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
CID 107649910
4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120726654
N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120584913
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 28716664
4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid
CID 68756811
N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 165368859
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine
CID 63453853
N-(4-aminocyclohexyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119970603

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (CID 52746543) is N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCCCC1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KRHUAIHOYAWIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO2S/c14-12-7-6-10(8-11(12)13(15,16)17)21(19,20)18-9-4-2-1-3-5-9/h6-9,18H,1-5H2.
What are the key properties of N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 325.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 52746543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).