5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide

C13H9F3N4O2S2 — CID 102444449

IUPAC5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(-c3cccc(C(F)(F)F)c3)nn2)s1
InChIInChI=1S/C13H9F3N4O2S2/c14-13(15,16)8-2-1-3-9(6-8)20-7-10(18-19-20)11-4-5-12(23-11)24(17,21)22/h1-7H,(H2,17,21,22)
InChIKeyJQXMMIVAQOVXDU-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.66
Rot. Bonds3

About 5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide

5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide (PubChem CID 102444449) has the molecular formula C13H9F3N4O2S2 and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide
PubChem CID102444449
Molecular FormulaC13H9F3N4O2S2
Molecular Weight374.37 g/mol
Exact Mass374.01
IUPAC Name5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(-c3cccc(C(F)(F)F)c3)nn2)s1
InChIInChI=1S/C13H9F3N4O2S2/c14-13(15,16)8-2-1-3-9(6-8)20-7-10(18-19-20)11-4-5-12(23-11)24(17,21)22/h1-7H,(H2,17,21,22)
InChIKeyJQXMMIVAQOVXDU-UHFFFAOYSA-N
XLogP2.66
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide (CID 102444449) is 5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(-c2cn(-c3cccc(C(F)(F)F)c3)nn2)s1.
What is the InChIKey of 5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is JQXMMIVAQOVXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O2S2/c14-13(15,16)8-2-1-3-9(6-8)20-7-10(18-19-20)11-4-5-12(23-11)24(17,21)22/h1-7H,(H2,17,21,22).
What are the key properties of 5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide?
5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 374.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 102444449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).