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

C7H5BrN4O2S2 — CID 114389149

IUPAC3-bromo-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nccnn1)c1sccc1Br
InChIInChI=1S/C7H5BrN4O2S2/c8-5-1-4-15-6(5)16(13,14)12-7-9-2-3-10-11-7/h1-4H,(H,9,11,12)
InChIKeyWPZJCTUEMMTPRB-UHFFFAOYSA-N
MW321.18 g/mol
LogP1.50
Rot. Bonds3

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

3-bromo-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide (PubChem CID 114389149) has the molecular formula C7H5BrN4O2S2 and a molecular weight of 321.18 g/mol. Its IUPAC name is 3-bromo-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
PubChem CID114389149
Molecular FormulaC7H5BrN4O2S2
Molecular Weight321.18 g/mol
Exact Mass319.90
IUPAC Name3-bromo-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nccnn1)c1sccc1Br
InChIInChI=1S/C7H5BrN4O2S2/c8-5-1-4-15-6(5)16(13,14)12-7-9-2-3-10-11-7/h1-4H,(H,9,11,12)
InChIKeyWPZJCTUEMMTPRB-UHFFFAOYSA-N
XLogP1.50
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide (CID 114389149) is 3-bromo-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1nccnn1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is WPZJCTUEMMTPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4O2S2/c8-5-1-4-15-6(5)16(13,14)12-7-9-2-3-10-11-7/h1-4H,(H,9,11,12).
What are the key properties of 3-bromo-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
3-bromo-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 321.18 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114389149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).