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

C11H12FN5O2S — CID 114386828

IUPAC4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(N)cc2F)nc1C
InChIInChI=1S/C11H12FN5O2S/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)
InChIKeyPGOVGAFYDWIPRU-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.01
Rot. Bonds3

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

4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide (PubChem CID 114386828) has the molecular formula C11H12FN5O2S and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
PubChem CID114386828
Molecular FormulaC11H12FN5O2S
Molecular Weight297.32 g/mol
Exact Mass297.07
IUPAC Name4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(N)cc2F)nc1C
InChIInChI=1S/C11H12FN5O2S/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)
InChIKeyPGOVGAFYDWIPRU-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

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-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
5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 106082976
4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812616
2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114389114
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide
CID 65485842
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389263
4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 22411411
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide
CID 104826733
4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012823

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide (CID 114386828) is 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide is Cc1nnc(NS(=O)(=O)c2ccc(N)cc2F)nc1C.
What is the InChIKey of 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide?
The InChIKey is PGOVGAFYDWIPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O2S/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-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide?
4-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 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 114386828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).