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

C10H9F2N5O2S — CID 106081990

IUPAC5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESNCc1cc(F)c(F)c(S(=O)(=O)Nc2nccnn2)c1
InChIInChI=1S/C10H9F2N5O2S/c11-7-3-6(5-13)4-8(9(7)12)20(18,19)17-10-14-1-2-15-16-10/h1-4H,5,13H2,(H,14,16,17)
InChIKeyOANJGNNRNHMFIG-UHFFFAOYSA-N
MW301.28 g/mol
LogP0.41
Rot. Bonds4

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

5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 106081990) has the molecular formula C10H9F2N5O2S and a molecular weight of 301.28 g/mol. Its IUPAC name is 5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID106081990
Molecular FormulaC10H9F2N5O2S
Molecular Weight301.28 g/mol
Exact Mass301.04
IUPAC Name5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESNCc1cc(F)c(F)c(S(=O)(=O)Nc2nccnn2)c1
InChIInChI=1S/C10H9F2N5O2S/c11-7-3-6(5-13)4-8(9(7)12)20(18,19)17-10-14-1-2-15-16-10/h1-4H,5,13H2,(H,14,16,17)
InChIKeyOANJGNNRNHMFIG-UHFFFAOYSA-N
XLogP0.41
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081921
3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387255
5-(aminomethyl)-N-cyclopentyl-2,3-difluorobenzenesulfonamide
CID 105120152
2-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081913
5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106029984
4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387252
5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081960
3-amino-5-fluoro-4-methoxy-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114626331
5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084095
5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 106059156
5-(aminomethyl)-N-(2,3-dimethylbutyl)-2,3-difluorobenzenesulfonamide
CID 105122469
5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016051

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide (CID 106081990) is 5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide is NCc1cc(F)c(F)c(S(=O)(=O)Nc2nccnn2)c1.
What is the InChIKey of 5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is OANJGNNRNHMFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5O2S/c11-7-3-6(5-13)4-8(9(7)12)20(18,19)17-10-14-1-2-15-16-10/h1-4H,5,13H2,(H,14,16,17).
What are the key properties of 5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 301.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 106081990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).