4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide

C15H15F3N4O2S — CID 69351612

IUPAC4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2=CCCCC2)cc1
InChIInChI=1S/C15H15F3N4O2S/c16-15(17,18)14-20-13(10-4-2-1-3-5-10)22(21-14)11-6-8-12(9-7-11)25(19,23)24/h4,6-9H,1-3,5H2,(H2,19,23,24)
InChIKeyFBXSEFDINUVIHG-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.89
Rot. Bonds3

About 4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide

4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide (PubChem CID 69351612) has the molecular formula C15H15F3N4O2S and a molecular weight of 372.37 g/mol. Its IUPAC name is 4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
PubChem CID69351612
Molecular FormulaC15H15F3N4O2S
Molecular Weight372.37 g/mol
Exact Mass372.09
IUPAC Name4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2=CCCCC2)cc1
InChIInChI=1S/C15H15F3N4O2S/c16-15(17,18)14-20-13(10-4-2-1-3-5-10)22(21-14)11-6-8-12(9-7-11)25(19,23)24/h4,6-9H,1-3,5H2,(H2,19,23,24)
InChIKeyFBXSEFDINUVIHG-UHFFFAOYSA-N
XLogP2.89
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-pyridin-4-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 22226652
4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 22226762
4-[5-(2-methylpropyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10150060
4-[5-(3-methoxycyclohexyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10237734
4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10133073
N-[4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
CID 10204836
6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide
CID 10215797
4-(cyclohexen-1-yl)-3-methyl-1-(4-methylphenyl)pyrazol-5-amine
CID 2387116
4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10403773
4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142958900
5-(4-chloro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 10094309
4-[5-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10251963

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide (CID 69351612) is 4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2=CCCCC2)cc1.
What is the InChIKey of 4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
The InChIKey is FBXSEFDINUVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2S/c16-15(17,18)14-20-13(10-4-2-1-3-5-10)22(21-14)11-6-8-12(9-7-11)25(19,23)24/h4,6-9H,1-3,5H2,(H2,19,23,24).
What are the key properties of 4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide?
4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide has a molecular weight of 372.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclohexen-1-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 69351612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).