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

C11H12FN5O2S — CID 114386821

IUPAC5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cc(N)ccc2F)nc1C
InChIInChI=1S/C11H12FN5O2S/c1-6-7(2)15-16-11(14-6)17-20(18,19)10-5-8(13)3-4-9(10)12/h3-5H,13H2,1-2H3,(H,14,16,17)
InChIKeyLGHRNXYZODCKQR-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.01
Rot. Bonds3

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

5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide (PubChem CID 114386821) has the molecular formula C11H12FN5O2S and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
PubChem CID114386821
Molecular FormulaC11H12FN5O2S
Molecular Weight297.32 g/mol
Exact Mass297.07
IUPAC Name5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cc(N)ccc2F)nc1C
InChIInChI=1S/C11H12FN5O2S/c1-6-7(2)15-16-11(14-6)17-20(18,19)10-5-8(13)3-4-9(10)12/h3-5H,13H2,1-2H3,(H,14,16,17)
InChIKeyLGHRNXYZODCKQR-UHFFFAOYSA-N
XLogP1.01
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.01
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-(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-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386867
4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114389118
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389263
5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide
CID 107571249
2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114389114
5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 43255417
5-amino-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255416
2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide
CID 106082978

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide (CID 114386821) is 5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide is Cc1nnc(NS(=O)(=O)c2cc(N)ccc2F)nc1C.
What is the InChIKey of 5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide?
The InChIKey is LGHRNXYZODCKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O2S/c1-6-7(2)15-16-11(14-6)17-20(18,19)10-5-8(13)3-4-9(10)12/h3-5H,13H2,1-2H3,(H,14,16,17).
What are the key properties of 5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide?
5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide has a molecular weight of 297.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 114386821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).