5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide

C11H12FN5O2S — CID 106081921

IUPAC5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCc1c(F)cc(CN)cc1S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C11H12FN5O2S/c1-7-9(12)4-8(6-13)5-10(7)20(18,19)17-11-14-2-3-15-16-11/h2-5H,6,13H2,1H3,(H,14,16,17)
InChIKeyTXGDSOQFBOGSCP-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.58
Rot. Bonds4

About 5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide

5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 106081921) has the molecular formula C11H12FN5O2S and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID106081921
Molecular FormulaC11H12FN5O2S
Molecular Weight297.32 g/mol
Exact Mass297.07
IUPAC Name5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCc1c(F)cc(CN)cc1S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C11H12FN5O2S/c1-7-9(12)4-8(6-13)5-10(7)20(18,19)17-11-14-2-3-15-16-11/h2-5H,6,13H2,1H3,(H,14,16,17)
InChIKeyTXGDSOQFBOGSCP-UHFFFAOYSA-N
XLogP0.58
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081990
5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106060941
5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
CID 106075946
3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387255
3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386974
2-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081913
5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 106079333
5-(aminomethyl)-3-fluoro-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411399
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898902
4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387252
5-(aminomethyl)-N-(cyclohexylmethyl)-3-fluoro-2-methylbenzenesulfonamide
CID 106027797
5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064732

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide (CID 106081921) is 5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide is Cc1c(F)cc(CN)cc1S(=O)(=O)Nc1nccnn1.
What is the InChIKey of 5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is TXGDSOQFBOGSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O2S/c1-7-9(12)4-8(6-13)5-10(7)20(18,19)17-11-14-2-3-15-16-11/h2-5H,6,13H2,1H3,(H,14,16,17).
What are the key properties of 5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 297.32 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 106081921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).