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

C11H12FN5O2S — CID 106081960

IUPAC5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C11H12FN5O2S/c1-13-7-8-2-3-9(12)6-10(8)20(18,19)17-11-14-4-5-15-16-11/h2-6,13H,7H2,1H3,(H,14,16,17)
InChIKeyBBMUOMLXYSCTDY-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.53
Rot. Bonds5

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

5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 106081960) has the molecular formula C11H12FN5O2S and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID106081960
Molecular FormulaC11H12FN5O2S
Molecular Weight297.32 g/mol
Exact Mass297.07
IUPAC Name5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C11H12FN5O2S/c1-13-7-8-2-3-9(12)6-10(8)20(18,19)17-11-14-4-5-15-16-11/h2-6,13H,7H2,1H3,(H,14,16,17)
InChIKeyBBMUOMLXYSCTDY-UHFFFAOYSA-N
XLogP0.53
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 106086586
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106082078
2-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081913
2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081872
4-ethyl-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387125
5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 102920876
5-fluoro-2-(methylaminomethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030781
3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387255
5-fluoro-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 102920739
5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081990
2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 6465175
5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106072803

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide (CID 106081960) is 5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide is CNCc1ccc(F)cc1S(=O)(=O)Nc1nccnn1.
What is the InChIKey of 5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is BBMUOMLXYSCTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O2S/c1-13-7-8-2-3-9(12)6-10(8)20(18,19)17-11-14-4-5-15-16-11/h2-6,13H,7H2,1H3,(H,14,16,17).
What are the key properties of 5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 297.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 106081960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).