4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid

C15H19N3O6S — CID 45291030

IUPAC4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCOc1cc(NS(=O)(=O)c2c(C)nn(C)c2C)c(C(=O)O)cc1OC
InChIInChI=1S/C15H19N3O6S/c1-8-14(9(2)18(3)16-8)25(21,22)17-11-7-13(24-5)12(23-4)6-10(11)15(19)20/h6-7,17H,1-5H3,(H,19,20)
InChIKeyAKGMIAYGLAWHLX-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.55
Rot. Bonds6

About 4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid

4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid (PubChem CID 45291030) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid
PubChem CID45291030
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC Name4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCOc1cc(NS(=O)(=O)c2c(C)nn(C)c2C)c(C(=O)O)cc1OC
InChIInChI=1S/C15H19N3O6S/c1-8-14(9(2)18(3)16-8)25(21,22)17-11-7-13(24-5)12(23-4)6-10(11)15(19)20/h6-7,17H,1-5H3,(H,19,20)
InChIKeyAKGMIAYGLAWHLX-UHFFFAOYSA-N
XLogP1.55
TPSA119.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]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 4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid (CID 45291030) is 4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid is COc1cc(NS(=O)(=O)c2c(C)nn(C)c2C)c(C(=O)O)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid?
The InChIKey is AKGMIAYGLAWHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6S/c1-8-14(9(2)18(3)16-8)25(21,22)17-11-7-13(24-5)12(23-4)6-10(11)15(19)20/h6-7,17H,1-5H3,(H,19,20).
What are the key properties of 4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid?
4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid has a molecular weight of 369.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 45291030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).