5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide

C12H8ClFN4O2S2 — CID 71770918

IUPAC5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(-c3ccc(F)c(Cl)c3)nn2)s1
InChIInChI=1S/C12H8ClFN4O2S2/c13-8-5-7(1-2-9(8)14)18-6-10(16-17-18)11-3-4-12(21-11)22(15,19)20/h1-6H,(H2,15,19,20)
InChIKeyFTBDJPKWQGOUDB-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.44
Rot. Bonds3

About 5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide

5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide (PubChem CID 71770918) has the molecular formula C12H8ClFN4O2S2 and a molecular weight of 358.81 g/mol. Its IUPAC name is 5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide
PubChem CID71770918
Molecular FormulaC12H8ClFN4O2S2
Molecular Weight358.81 g/mol
Exact Mass357.98
IUPAC Name5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(-c3ccc(F)c(Cl)c3)nn2)s1
InChIInChI=1S/C12H8ClFN4O2S2/c13-8-5-7(1-2-9(8)14)18-6-10(16-17-18)11-3-4-12(21-11)22(15,19)20/h1-6H,(H2,15,19,20)
InChIKeyFTBDJPKWQGOUDB-UHFFFAOYSA-N
XLogP2.44
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide (CID 71770918) is 5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(-c2cn(-c3ccc(F)c(Cl)c3)nn2)s1.
What is the InChIKey of 5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is FTBDJPKWQGOUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4O2S2/c13-8-5-7(1-2-9(8)14)18-6-10(16-17-18)11-3-4-12(21-11)22(15,19)20/h1-6H,(H2,15,19,20).
What are the key properties of 5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide?
5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 358.81 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71770918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).