5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide

C12H10N4O2S2 — CID 71770789

IUPAC5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(-c3ccccc3)nn2)s1
InChIInChI=1S/C12H10N4O2S2/c13-20(17,18)12-7-6-11(19-12)10-8-16(15-14-10)9-4-2-1-3-5-9/h1-8H,(H2,13,17,18)
InChIKeyUOARDPLCODJNDR-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.64
Rot. Bonds3

About 5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide

5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide (PubChem CID 71770789) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide
PubChem CID71770789
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC Name5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(-c3ccccc3)nn2)s1
InChIInChI=1S/C12H10N4O2S2/c13-20(17,18)12-7-6-11(19-12)10-8-16(15-14-10)9-4-2-1-3-5-9/h1-8H,(H2,13,17,18)
InChIKeyUOARDPLCODJNDR-UHFFFAOYSA-N
XLogP1.64
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide (CID 71770789) is 5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(-c2cn(-c3ccccc3)nn2)s1.
What is the InChIKey of 5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is UOARDPLCODJNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c13-20(17,18)12-7-6-11(19-12)10-8-16(15-14-10)9-4-2-1-3-5-9/h1-8H,(H2,13,17,18).
What are the key properties of 5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide?
5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 306.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenyltriazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 71770789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).