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

C11H11FN4O2S — CID 104826733

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(F)cc2)nc1C
InChIInChI=1S/C11H11FN4O2S/c1-7-8(2)14-15-11(13-7)16-19(17,18)10-5-3-9(12)4-6-10/h3-6H,1-2H3,(H,13,15,16)
InChIKeyFLFPTZNISSPNPZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.43
Rot. Bonds3

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

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide (PubChem CID 104826733) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide
PubChem CID104826733
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(F)cc2)nc1C
InChIInChI=1S/C11H11FN4O2S/c1-7-8(2)14-15-11(13-7)16-19(17,18)10-5-3-9(12)4-6-10/h3-6H,1-2H3,(H,13,15,16)
InChIKeyFLFPTZNISSPNPZ-UHFFFAOYSA-N
XLogP1.43
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386803
2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrimidine-5-sulfonamide
CID 114389265
3-chloro-4-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 104826727
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386828
4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114389118
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106082947
5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 106082976
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106083008
4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 787282
4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 104826666
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzenesulfonamide
CID 16934102

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide (CID 104826733) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide is Cc1nnc(NS(=O)(=O)c2ccc(F)cc2)nc1C.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide?
The InChIKey is FLFPTZNISSPNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-7-8(2)14-15-11(13-7)16-19(17,18)10-5-3-9(12)4-6-10/h3-6H,1-2H3,(H,13,15,16).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide has a molecular weight of 282.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 104826733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).