2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide

C9H6Br2N4O2S — CID 114389146

IUPAC2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccnn1)c1ccc(Br)cc1Br
InChIInChI=1S/C9H6Br2N4O2S/c10-6-1-2-8(7(11)5-6)18(16,17)15-9-12-3-4-13-14-9/h1-5H,(H,12,14,15)
InChIKeyNYSVKNKBZRFXOY-UHFFFAOYSA-N
MW394.05 g/mol
LogP2.20
Rot. Bonds3

About 2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide

2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 114389146) has the molecular formula C9H6Br2N4O2S and a molecular weight of 394.05 g/mol. Its IUPAC name is 2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID114389146
Molecular FormulaC9H6Br2N4O2S
Molecular Weight394.05 g/mol
Exact Mass391.86
IUPAC Name2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccnn1)c1ccc(Br)cc1Br
InChIInChI=1S/C9H6Br2N4O2S/c10-6-1-2-8(7(11)5-6)18(16,17)15-9-12-3-4-13-14-9/h1-5H,(H,12,14,15)
InChIKeyNYSVKNKBZRFXOY-UHFFFAOYSA-N
XLogP2.20
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.05
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
CID 60823437
2-bromo-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 115571544
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114388268
2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 113257792
N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide
CID 60824053
2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 63903663
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide
CID 106082017
2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081872
2-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081913
2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387982

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide (CID 114389146) is 2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide is O=S(=O)(Nc1nccnn1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is NYSVKNKBZRFXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N4O2S/c10-6-1-2-8(7(11)5-6)18(16,17)15-9-12-3-4-13-14-9/h1-5H,(H,12,14,15).
What are the key properties of 2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 394.05 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114389146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).