5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide

C8H5N5O2S2 — CID 106269174

IUPAC5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2nccnn2)s1
InChIInChI=1S/C8H5N5O2S2/c9-5-6-1-2-7(16-6)17(14,15)13-8-10-3-4-11-12-8/h1-4H,(H,10,12,13)
InChIKeyMNZNQVQRQRSCNZ-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.61
Rot. Bonds3

About 5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide

5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide (PubChem CID 106269174) has the molecular formula C8H5N5O2S2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
PubChem CID106269174
Molecular FormulaC8H5N5O2S2
Molecular Weight267.30 g/mol
Exact Mass266.99
IUPAC Name5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2nccnn2)s1
InChIInChI=1S/C8H5N5O2S2/c9-5-6-1-2-7(16-6)17(14,15)13-8-10-3-4-11-12-8/h1-4H,(H,10,12,13)
InChIKeyMNZNQVQRQRSCNZ-UHFFFAOYSA-N
XLogP0.61
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide (CID 106269174) is 5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2nccnn2)s1.
What is the InChIKey of 5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is MNZNQVQRQRSCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O2S2/c9-5-6-1-2-7(16-6)17(14,15)13-8-10-3-4-11-12-8/h1-4H,(H,10,12,13).
What are the key properties of 5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 267.30 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106269174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).