N-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide

C12H10N4O2S2 — CID 75476470

IUPACN-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cccs1
InChIInChI=1S/C12H10N4O2S2/c17-20(18,11-7-4-8-19-11)15-12-13-9-16(14-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
InChIKeyQHKQITGTWGFRIX-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.13
Rot. Bonds4

About N-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide

N-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide (PubChem CID 75476470) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide
PubChem CID75476470
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC NameN-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cccs1
InChIInChI=1S/C12H10N4O2S2/c17-20(18,11-7-4-8-19-11)15-12-13-9-16(14-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
InChIKeyQHKQITGTWGFRIX-UHFFFAOYSA-N
XLogP2.13
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide (CID 75476470) is N-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cccs1.
What is the InChIKey of N-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is QHKQITGTWGFRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c17-20(18,11-7-4-8-19-11)15-12-13-9-16(14-12)10-5-2-1-3-6-10/h1-9H,(H,14,15).
What are the key properties of N-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide?
N-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 306.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 75476470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).