2,3-dimethoxy-5-sulfamoylbenzoic acid

C9H11NO6S — CID 3017698

IUPAC2,3-dimethoxy-5-sulfamoylbenzoic acid
SMILESCOc1cc(S(N)(=O)=O)cc(C(=O)O)c1OC
InChIInChI=1S/C9H11NO6S/c1-15-7-4-5(17(10,13)14)3-6(9(11)12)8(7)16-2/h3-4H,1-2H3,(H,11,12)(H2,10,13,14)
InChIKeyYEVQOPOKMKTXMD-UHFFFAOYSA-N
MW261.25 g/mol
LogP0.05
Rot. Bonds4

About 2,3-dimethoxy-5-sulfamoylbenzoic acid

2,3-dimethoxy-5-sulfamoylbenzoic acid (PubChem CID 3017698) has the molecular formula C9H11NO6S and a molecular weight of 261.25 g/mol. Its IUPAC name is 2,3-dimethoxy-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2,3-dimethoxy-5-sulfamoylbenzoic acid
PubChem CID3017698
Molecular FormulaC9H11NO6S
Molecular Weight261.25 g/mol
Exact Mass261.03
IUPAC Name2,3-dimethoxy-5-sulfamoylbenzoic acid
SMILESCOc1cc(S(N)(=O)=O)cc(C(=O)O)c1OC
InChIInChI=1S/C9H11NO6S/c1-15-7-4-5(17(10,13)14)3-6(9(11)12)8(7)16-2/h3-4H,1-2H3,(H,11,12)(H2,10,13,14)
InChIKeyYEVQOPOKMKTXMD-UHFFFAOYSA-N
XLogP0.05
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,3-dimethoxy-5-sulfamoylbenzoic acid 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

Methyl 5-sulfamoyl-o-anisate
CID 118390
o-Anisic acid, 5-(fluorosulfonyl)-
CID 308458
2-Methoxy-5-sulfamoylbenzoic acid
CID 89601
5-Chlorosulphonyl-2-anisic acid
CID 104007
Ethyl 5-sulphamoyl-o-anisate
CID 118391
7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid
CID 6455316
Methyl 2-hydroxy-5-sulfamoylbenzoate
CID 14266941
5-(chlorosulfonyl)-2-methoxy-4-methylBenzoic acid
CID 19042983
2-Methoxy-5-((methylamino)sulphonyl)benzoic acid
CID 104001
3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid
CID 290093
2-(Prop-2-en-1-yloxy)-5-sulfamoylbenzoic acid
CID 43140361
7-(Fluorosulfonyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 165452561

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-sulfamoylbenzoic acid?
The IUPAC name of 2,3-dimethoxy-5-sulfamoylbenzoic acid (CID 3017698) is 2,3-dimethoxy-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2,3-dimethoxy-5-sulfamoylbenzoic acid?
The canonical SMILES for 2,3-dimethoxy-5-sulfamoylbenzoic acid is COc1cc(S(N)(=O)=O)cc(C(=O)O)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-sulfamoylbenzoic acid?
The InChIKey is YEVQOPOKMKTXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO6S/c1-15-7-4-5(17(10,13)14)3-6(9(11)12)8(7)16-2/h3-4H,1-2H3,(H,11,12)(H2,10,13,14).
What are the key properties of 2,3-dimethoxy-5-sulfamoylbenzoic acid?
2,3-dimethoxy-5-sulfamoylbenzoic acid has a molecular weight of 261.25 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-sulfamoylbenzoic acid is sourced from PubChem (CID 3017698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).