3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide

C13H16N4O2S — CID 106503931

IUPAC3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2cnccn2)c1C
InChIInChI=1S/C13H16N4O2S/c1-8-6-11(14)10(3)13(9(8)2)20(18,19)17-12-7-15-4-5-16-12/h4-7H,14H2,1-3H3,(H,16,17)
InChIKeyMSGKLGZYSKQGHX-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.78
Rot. Bonds3

About 3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide

3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 106503931) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID106503931
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2cnccn2)c1C
InChIInChI=1S/C13H16N4O2S/c1-8-6-11(14)10(3)13(9(8)2)20(18,19)17-12-7-15-4-5-16-12/h4-7H,14H2,1-3H3,(H,16,17)
InChIKeyMSGKLGZYSKQGHX-UHFFFAOYSA-N
XLogP1.78
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide 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-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 43616062
3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 116791557
3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 114379006
3-amino-2,5,6-trimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106505457
3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 106504809
2,3,5,6-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 2147472
2,3,5,6-tetramethyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 6462198
3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide
CID 55153657
CID 131880907
CID 131880907
3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide
CID 81470896
3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616050
2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
CID 62146847

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide (CID 106503931) is 3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)Nc2cnccn2)c1C.
What is the InChIKey of 3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is MSGKLGZYSKQGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-6-11(14)10(3)13(9(8)2)20(18,19)17-12-7-15-4-5-16-12/h4-7H,14H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide?
3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 106503931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).