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

C8H7BrN4O2S2 — CID 114389141

IUPAC5-bromo-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C8H7BrN4O2S2/c1-5-6(4-7(9)16-5)17(14,15)13-8-10-2-3-11-12-8/h2-4H,1H3,(H,10,12,13)
InChIKeyKBQVYDJEHYEFGF-UHFFFAOYSA-N
MW335.21 g/mol
LogP1.80
Rot. Bonds3

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

5-bromo-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide (PubChem CID 114389141) has the molecular formula C8H7BrN4O2S2 and a molecular weight of 335.21 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide
PubChem CID114389141
Molecular FormulaC8H7BrN4O2S2
Molecular Weight335.21 g/mol
Exact Mass333.92
IUPAC Name5-bromo-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C8H7BrN4O2S2/c1-5-6(4-7(9)16-5)17(14,15)13-8-10-2-3-11-12-8/h2-4H,1H3,(H,10,12,13)
InChIKeyKBQVYDJEHYEFGF-UHFFFAOYSA-N
XLogP1.80
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide (CID 114389141) is 5-bromo-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)Nc1nccnn1.
What is the InChIKey of 5-bromo-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
The InChIKey is KBQVYDJEHYEFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O2S2/c1-5-6(4-7(9)16-5)17(14,15)13-8-10-2-3-11-12-8/h2-4H,1H3,(H,10,12,13).
What are the key properties of 5-bromo-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide has a molecular weight of 335.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 114389141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).