5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine

C15H11F3N4O2S — CID 53335677

IUPAC5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)nnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N4O2S/c16-15(17,18)10-5-4-6-11(9-10)22-13(19)14(20-21-22)25(23,24)12-7-2-1-3-8-12/h1-9H,19H2
InChIKeyGXQKMSKBOAZYPB-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.70
Rot. Bonds3

About 5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine

5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine (PubChem CID 53335677) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
PubChem CID53335677
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC Name5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)nnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N4O2S/c16-15(17,18)10-5-4-6-11(9-10)22-13(19)14(20-21-22)25(23,24)12-7-2-1-3-8-12/h1-9H,19H2
InChIKeyGXQKMSKBOAZYPB-UHFFFAOYSA-N
XLogP2.70
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine
CID 94938426
5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 11689324
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262208
4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 115069398
5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
CID 2053193
3-[5-methyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]propanoic acid
CID 82196731
5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole
CID 3727571
5-amino-2-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-one
CID 141050527
[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride
CID 72716165
3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 25069515
5-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
CID 94940294
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine?
The IUPAC name of 5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine (CID 53335677) is 5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine?
The canonical SMILES for 5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine is Nc1c(S(=O)(=O)c2ccccc2)nnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine?
The InChIKey is GXQKMSKBOAZYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c16-15(17,18)10-5-4-6-11(9-10)22-13(19)14(20-21-22)25(23,24)12-7-2-1-3-8-12/h1-9H,19H2.
What are the key properties of 5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine?
5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine has a molecular weight of 368.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine is sourced from PubChem (CID 53335677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).