4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide

C15H11F3N4O2S — CID 44577576

IUPAC4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3ccccc3C(F)(F)F)nn2)cc1
InChIInChI=1S/C15H11F3N4O2S/c16-15(17,18)13-4-2-1-3-12(13)14-9-22(21-20-14)10-5-7-11(8-6-10)25(19,23)24/h1-9H,(H2,19,23,24)
InChIKeyFZLIWPMDHDJPEH-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.60
Rot. Bonds3

About 4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide

4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide (PubChem CID 44577576) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is 4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide
PubChem CID44577576
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC Name4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3ccccc3C(F)(F)F)nn2)cc1
InChIInChI=1S/C15H11F3N4O2S/c16-15(17,18)13-4-2-1-3-12(13)14-9-22(21-20-14)10-5-7-11(8-6-10)25(19,23)24/h1-9H,(H2,19,23,24)
InChIKeyFZLIWPMDHDJPEH-UHFFFAOYSA-N
XLogP2.60
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Cyclohexyl-1h-1,2,3-Triazol-1-Yl)-2,3,5,6-Tetrafluorobenzenesulfonamide
CID 53389268
4-[4-(Anilinomethyl)triazol-1-yl]benzenesulfonamide
CID 134131659
4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577800
4-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577804
3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 122455390
1-(4-Methanesulfonylphenyl)-5-phenyl-1H-[1,2,3]triazole
CID 21859783
1-(4-Methanesulfonyl-phenyl)-5-p-tolyl-1H-[1,2,3]triazole
CID 21859784
5-(4-Fluorophenyl)-1-(4-methanesulfonylphenyl)-1H-[1,2,3]triazole
CID 21859786
4-(4-o-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 25071013
4-(4-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577574
4-(4-p-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577801
4-(4-m-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577802

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide (CID 44577576) is 4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3C(F)(F)F)nn2)cc1.
What is the InChIKey of 4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide?
The InChIKey is FZLIWPMDHDJPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c16-15(17,18)13-4-2-1-3-12(13)14-9-22(21-20-14)10-5-7-11(8-6-10)25(19,23)24/h1-9H,(H2,19,23,24).
What are the key properties of 4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide?
4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide has a molecular weight of 368.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 44577576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).