4-methoxy-3-sulfamoylbenzoic acid

C8H9NO5S — CID 2492699

IUPAC4-methoxy-3-sulfamoylbenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C8H9NO5S/c1-14-6-3-2-5(8(10)11)4-7(6)15(9,12)13/h2-4H,1H3,(H,10,11)(H2,9,12,13)
InChIKeyCKCJWLSXMXMIQO-UHFFFAOYSA-N
MW231.23 g/mol
LogP0.04
Rot. Bonds3

About 4-methoxy-3-sulfamoylbenzoic acid

4-methoxy-3-sulfamoylbenzoic acid (PubChem CID 2492699) has the molecular formula C8H9NO5S and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-methoxy-3-sulfamoylbenzoic acid.

Molecular Properties

Compound Name4-methoxy-3-sulfamoylbenzoic acid
PubChem CID2492699
Molecular FormulaC8H9NO5S
Molecular Weight231.23 g/mol
Exact Mass231.02
IUPAC Name4-methoxy-3-sulfamoylbenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C8H9NO5S/c1-14-6-3-2-5(8(10)11)4-7(6)15(9,12)13/h2-4H,1H3,(H,10,11)(H2,9,12,13)
InChIKeyCKCJWLSXMXMIQO-UHFFFAOYSA-N
XLogP0.04
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-3-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

4-Methoxy-3-[(propan-2-yl)sulfamoyl]benzoic acid
CID 2119871
3-(Dimethylsulfamoyl)-4-methoxybenzoic acid
CID 2492687
4-Methoxy-3-(methylsulfamoyl)benzoic acid
CID 2492720
3-(Tert-butylsulfamoyl)-4-methoxybenzoic acid
CID 4464061
4-Methoxy-3-(4-thiomorpholinylsulfonyl)benzoic acid
CID 6462652
3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid
CID 757123
4-Methoxy-3-(morpholine-4-sulfonyl)benzoic acid
CID 767913
5-Acetyl-2-methoxybenzene-1-sulfonamide
CID 15579451
3-(Diethylsulfamoyl)-4-methoxybenzoic acid
CID 794499
4-Methoxy-3-[(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119869
3-{[2-(Dimethylamino)ethyl]sulfamoyl}-4-methoxybenzoic acid
CID 2392364
(2E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid
CID 2493141

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-sulfamoylbenzoic acid?
The IUPAC name of 4-methoxy-3-sulfamoylbenzoic acid (CID 2492699) is 4-methoxy-3-sulfamoylbenzoic acid.
What is the SMILES notation for 4-methoxy-3-sulfamoylbenzoic acid?
The canonical SMILES for 4-methoxy-3-sulfamoylbenzoic acid is COc1ccc(C(=O)O)cc1S(N)(=O)=O.
What is the InChIKey of 4-methoxy-3-sulfamoylbenzoic acid?
The InChIKey is CKCJWLSXMXMIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5S/c1-14-6-3-2-5(8(10)11)4-7(6)15(9,12)13/h2-4H,1H3,(H,10,11)(H2,9,12,13).
What are the key properties of 4-methoxy-3-sulfamoylbenzoic acid?
4-methoxy-3-sulfamoylbenzoic acid has a molecular weight of 231.23 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-sulfamoylbenzoic acid is sourced from PubChem (CID 2492699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).