4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide

C11H12BrN5O2S — CID 114386867

IUPAC4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(N)cc2Br)nc1C
InChIInChI=1S/C11H12BrN5O2S/c1-6-7(2)15-16-11(14-6)17-20(18,19)10-4-3-8(13)5-9(10)12/h3-5H,13H2,1-2H3,(H,14,16,17)
InChIKeyZSWAQWGHNKFDEU-UHFFFAOYSA-N
MW358.22 g/mol
LogP1.63
Rot. Bonds3

About 4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide

4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 114386867) has the molecular formula C11H12BrN5O2S and a molecular weight of 358.22 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID114386867
Molecular FormulaC11H12BrN5O2S
Molecular Weight358.22 g/mol
Exact Mass356.99
IUPAC Name4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(N)cc2Br)nc1C
InChIInChI=1S/C11H12BrN5O2S/c1-6-7(2)15-16-11(14-6)17-20(18,19)10-4-3-8(13)5-9(10)12/h3-5H,13H2,1-2H3,(H,14,16,17)
InChIKeyZSWAQWGHNKFDEU-UHFFFAOYSA-N
XLogP1.63
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386828
5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386821
2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114389114
4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114389118
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343922
4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
CID 43255899
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389263
2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide
CID 106082978
5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 106082976
3-amino-4-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386803
4-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139
5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114386548

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide (CID 114386867) is 4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2ccc(N)cc2Br)nc1C.
What is the InChIKey of 4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is ZSWAQWGHNKFDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2S/c1-6-7(2)15-16-11(14-6)17-20(18,19)10-4-3-8(13)5-9(10)12/h3-5H,13H2,1-2H3,(H,14,16,17).
What are the key properties of 4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide?
4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 358.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114386867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).