3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid

C15H17N3O4S — CID 167811320

IUPAC3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)NCCc2cncc(C)n2)c1
InChIInChI=1S/C15H17N3O4S/c1-10-5-12(15(19)20)7-14(6-10)23(21,22)17-4-3-13-9-16-8-11(2)18-13/h5-9,17H,3-4H2,1-2H3,(H,19,20)
InChIKeyWSMFKULEPLEHFM-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.31
Rot. Bonds6

About 3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid

3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid (PubChem CID 167811320) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid
PubChem CID167811320
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)NCCc2cncc(C)n2)c1
InChIInChI=1S/C15H17N3O4S/c1-10-5-12(15(19)20)7-14(6-10)23(21,22)17-4-3-13-9-16-8-11(2)18-13/h5-9,17H,3-4H2,1-2H3,(H,19,20)
InChIKeyWSMFKULEPLEHFM-UHFFFAOYSA-N
XLogP1.31
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid (CID 167811320) is 3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid is Cc1cc(C(=O)O)cc(S(=O)(=O)NCCc2cncc(C)n2)c1.
What is the InChIKey of 3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid?
The InChIKey is WSMFKULEPLEHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-10-5-12(15(19)20)7-14(6-10)23(21,22)17-4-3-13-9-16-8-11(2)18-13/h5-9,17H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid?
3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid has a molecular weight of 335.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 167811320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).