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

C11H10BrFN4O2S — CID 114389118

IUPAC4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(Br)cc2F)nc1C
InChIInChI=1S/C11H10BrFN4O2S/c1-6-7(2)15-16-11(14-6)17-20(18,19)10-4-3-8(12)5-9(10)13/h3-5H,1-2H3,(H,14,16,17)
InChIKeyWRQJNODGXZYOPI-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.19
Rot. Bonds3

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

4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide (PubChem CID 114389118) has the molecular formula C11H10BrFN4O2S and a molecular weight of 361.20 g/mol. Its IUPAC name is 4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
PubChem CID114389118
Molecular FormulaC11H10BrFN4O2S
Molecular Weight361.20 g/mol
Exact Mass359.97
IUPAC Name4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(Br)cc2F)nc1C
InChIInChI=1S/C11H10BrFN4O2S/c1-6-7(2)15-16-11(14-6)17-20(18,19)10-4-3-8(12)5-9(10)13/h3-5H,1-2H3,(H,14,16,17)
InChIKeyWRQJNODGXZYOPI-UHFFFAOYSA-N
XLogP2.19
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386828
2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114389114
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343922
5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386821
4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386867
4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561188
5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 106082976
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129
4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 116528134
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide
CID 104826733
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide (CID 114389118) is 4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide is Cc1nnc(NS(=O)(=O)c2ccc(Br)cc2F)nc1C.
What is the InChIKey of 4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide?
The InChIKey is WRQJNODGXZYOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4O2S/c1-6-7(2)15-16-11(14-6)17-20(18,19)10-4-3-8(12)5-9(10)13/h3-5H,1-2H3,(H,14,16,17).
What are the key properties of 4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide?
4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide has a molecular weight of 361.20 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 114389118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).