4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide

C14H19F3N2O2S — CID 133339090

IUPAC4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC1CCC(Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H19F3N2O2S/c1-9-2-4-10(5-3-9)19-11-6-7-13(22(18,20)21)12(8-11)14(15,16)17/h6-10,19H,2-5H2,1H3,(H2,18,20,21)
InChIKeyQJCVOTYEKDYBKN-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.34
Rot. Bonds3

About 4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide

4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 133339090) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID133339090
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC Name4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC1CCC(Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H19F3N2O2S/c1-9-2-4-10(5-3-9)19-11-6-7-13(22(18,20)21)12(8-11)14(15,16)17/h6-10,19H,2-5H2,1H3,(H2,18,20,21)
InChIKeyQJCVOTYEKDYBKN-UHFFFAOYSA-N
XLogP3.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 122496262
4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133343058
4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340297
4-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
CID 146129770
5-(cyclopentylamino)-2-methylbenzenesulfonamide
CID 28653417
4-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133339413
2-amino-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
CID 79466437
(2S)-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanoic acid
CID 122049439
4-amino-2-(trifluoromethyl)benzenesulfonamide
CID 10610060
4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 133339931
4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455741
4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide
CID 70908235

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide (CID 133339090) is 4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide is CC1CCC(Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QJCVOTYEKDYBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c1-9-2-4-10(5-3-9)19-11-6-7-13(22(18,20)21)12(8-11)14(15,16)17/h6-10,19H,2-5H2,1H3,(H2,18,20,21).
What are the key properties of 4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide?
4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 336.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133339090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).