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

C11H10Br2N4O2S — CID 114389114

IUPAC2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cc(Br)ccc2Br)nc1C
InChIInChI=1S/C11H10Br2N4O2S/c1-6-7(2)15-16-11(14-6)17-20(18,19)10-5-8(12)3-4-9(10)13/h3-5H,1-2H3,(H,14,16,17)
InChIKeyHAMLQCBVLHMLMH-UHFFFAOYSA-N
MW422.10 g/mol
LogP2.81
Rot. Bonds3

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

2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 114389114) has the molecular formula C11H10Br2N4O2S and a molecular weight of 422.10 g/mol. Its IUPAC name is 2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID114389114
Molecular FormulaC11H10Br2N4O2S
Molecular Weight422.10 g/mol
Exact Mass419.89
IUPAC Name2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cc(Br)ccc2Br)nc1C
InChIInChI=1S/C11H10Br2N4O2S/c1-6-7(2)15-16-11(14-6)17-20(18,19)10-5-8(12)3-4-9(10)13/h3-5H,1-2H3,(H,14,16,17)
InChIKeyHAMLQCBVLHMLMH-UHFFFAOYSA-N
XLogP2.81
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114389118
4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386867
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-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 106082976
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343922
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
2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 112699522

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide (CID 114389114) is 2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2cc(Br)ccc2Br)nc1C.
What is the InChIKey of 2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is HAMLQCBVLHMLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4O2S/c1-6-7(2)15-16-11(14-6)17-20(18,19)10-5-8(12)3-4-9(10)13/h3-5H,1-2H3,(H,14,16,17).
What are the key properties of 2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide?
2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 422.10 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114389114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).