4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide

C14H18F3NO2S — CID 32684915

IUPAC4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1
InChIInChI=1S/C14H18F3NO2S/c1-10-5-7-13(8-6-10)21(19,20)18-12-4-2-3-11(9-12)14(15,16)17/h5-8,11-12,18H,2-4,9H2,1H3/t11-,12+/m1/s1
InChIKeyIHLOAGYWSPWYPD-NEPJUHHUSA-N
MW321.36 g/mol
LogP3.39
Rot. Bonds3

About 4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide

4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 32684915) has the molecular formula C14H18F3NO2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
PubChem CID32684915
Molecular FormulaC14H18F3NO2S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC Name4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1
InChIInChI=1S/C14H18F3NO2S/c1-10-5-7-13(8-6-10)21(19,20)18-12-4-2-3-11(9-12)14(15,16)17/h5-8,11-12,18H,2-4,9H2,1H3/t11-,12+/m1/s1
InChIKeyIHLOAGYWSPWYPD-NEPJUHHUSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[(1S,3R)-3-(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

3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 55691532
trans-(1R,3R)-3-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 6943892
3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 112812300
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 129369369
N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide
CID 32686079
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61275605
cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95286792
1-ethyl-4-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 124683804
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-4-methylbenzenesulfonamide
CID 5247563
N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide
CID 7154370
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide (CID 32684915) is 4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1.
What is the InChIKey of 4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is IHLOAGYWSPWYPD-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H18F3NO2S/c1-10-5-7-13(8-6-10)21(19,20)18-12-4-2-3-11(9-12)14(15,16)17/h5-8,11-12,18H,2-4,9H2,1H3/t11-,12+/m1/s1.
What are the key properties of 4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 321.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 32684915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).