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

C14H17F4NO2S — CID 39630411

IUPAC5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C14H17F4NO2S/c1-9-6-7-10(15)8-13(9)22(20,21)19-12-5-3-2-4-11(12)14(16,17)18/h6-8,11-12,19H,2-5H2,1H3/t11-,12+/m0/s1
InChIKeyPSIDCHZQYOQNHH-NWDGAFQWSA-N
MW339.35 g/mol
LogP3.53
Rot. Bonds3

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

5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 39630411) has the molecular formula C14H17F4NO2S and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
PubChem CID39630411
Molecular FormulaC14H17F4NO2S
Molecular Weight339.35 g/mol
Exact Mass339.09
IUPAC Name5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C14H17F4NO2S/c1-9-6-7-10(15)8-13(9)22(20,21)19-12-5-3-2-4-11(12)14(16,17)18/h6-8,11-12,19H,2-5H2,1H3/t11-,12+/m0/s1
InChIKeyPSIDCHZQYOQNHH-NWDGAFQWSA-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

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Related Compounds

5-fluoro-2-methyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630415
2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630429
N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide
CID 106367588
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64818376
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 71871357
2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 60722057
2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978973
3-fluoro-4-[[(1S,2R)-2-(trifluoromethyl)cyclohexyl]sulfamoyl]benzoic acid
CID 100631857
N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide
CID 65032633
5-fluoro-2-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 6976095
4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757052
N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide (CID 39630411) is 5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of 5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is PSIDCHZQYOQNHH-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H17F4NO2S/c1-9-6-7-10(15)8-13(9)22(20,21)19-12-5-3-2-4-11(12)14(16,17)18/h6-8,11-12,19H,2-5H2,1H3/t11-,12+/m0/s1.
What are the key properties of 5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
5-fluoro-2-methyl-N-[(1R,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 5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 39630411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).