2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide

C14H17F4NO2S — CID 39630429

IUPAC2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c1
InChIInChI=1S/C14H17F4NO2S/c1-9-6-7-11(15)13(8-9)22(20,21)19-12-5-3-2-4-10(12)14(16,17)18/h6-8,10,12,19H,2-5H2,1H3/t10-,12-/m0/s1
InChIKeyJEVSCEBWDACUTD-JQWIXIFHSA-N
MW339.35 g/mol
LogP3.53
Rot. Bonds3

About 2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide

2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 39630429) has the molecular formula C14H17F4NO2S and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
PubChem CID39630429
Molecular FormulaC14H17F4NO2S
Molecular Weight339.35 g/mol
Exact Mass339.09
IUPAC Name2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c1
InChIInChI=1S/C14H17F4NO2S/c1-9-6-7-11(15)13(8-9)22(20,21)19-12-5-3-2-4-10(12)14(16,17)18/h6-8,10,12,19H,2-5H2,1H3/t10-,12-/m0/s1
InChIKeyJEVSCEBWDACUTD-JQWIXIFHSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]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

2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 104953272
2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 60722057
5-fluoro-2-methyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630415
5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630411
3-fluoro-4-[[(1S,2R)-2-(trifluoromethyl)cyclohexyl]sulfamoyl]benzoic acid
CID 100631857
N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
2-fluoro-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 79765205
N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 114297356
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide
CID 65032633
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763507

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide (CID 39630429) is 2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is JEVSCEBWDACUTD-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H17F4NO2S/c1-9-6-7-11(15)13(8-9)22(20,21)19-12-5-3-2-4-10(12)14(16,17)18/h6-8,10,12,19H,2-5H2,1H3/t10-,12-/m0/s1.
What are the key properties of 2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 339.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 39630429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).