5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide

C8H7N5O2S2 — CID 114166841

IUPAC5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(C#N)s2)n[nH]1
InChIInChI=1S/C8H7N5O2S2/c1-5-10-8(12-11-5)13-17(14,15)7-3-2-6(4-9)16-7/h2-3H,1H3,(H2,10,11,12,13)
InChIKeyVTXQBKNOFSPGKN-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.85
Rot. Bonds3

About 5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide

5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide (PubChem CID 114166841) has the molecular formula C8H7N5O2S2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide
PubChem CID114166841
Molecular FormulaC8H7N5O2S2
Molecular Weight269.31 g/mol
Exact Mass269.00
IUPAC Name5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(C#N)s2)n[nH]1
InChIInChI=1S/C8H7N5O2S2/c1-5-10-8(12-11-5)13-17(14,15)7-3-2-6(4-9)16-7/h2-3H,1H3,(H2,10,11,12,13)
InChIKeyVTXQBKNOFSPGKN-UHFFFAOYSA-N
XLogP0.85
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide (CID 114166841) is 5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide is Cc1nc(NS(=O)(=O)c2ccc(C#N)s2)n[nH]1.
What is the InChIKey of 5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is VTXQBKNOFSPGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2S2/c1-5-10-8(12-11-5)13-17(14,15)7-3-2-6(4-9)16-7/h2-3H,1H3,(H2,10,11,12,13).
What are the key properties of 5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide?
5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 269.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114166841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).