4-(dimethylsulfamoyl)benzoic acid

C9H11NO4S — CID 14572

IUPAC4-(dimethylsulfamoyl)benzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H11NO4S/c1-10(2)15(13,14)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKeyDGVPSAQTQGLBAM-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.64
Rot. Bonds3

About 4-(dimethylsulfamoyl)benzoic acid

4-(dimethylsulfamoyl)benzoic acid (PubChem CID 14572) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)benzoic acid
PubChem CID14572
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name4-(dimethylsulfamoyl)benzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H11NO4S/c1-10(2)15(13,14)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKeyDGVPSAQTQGLBAM-UHFFFAOYSA-N
XLogP0.64
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(dimethylsulfamoyl)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

Related Compounds

Probenecid
CID 4911
Halazone
CID 3552
Carzenide
CID 8739
4-((Diethylamino)sulfonyl)benzoic acid
CID 14604
2-Sulfamoylbenzoic acid
CID 69436
4-Sulfobenzoic acid
CID 69469
2-Sulfobenzoic acid
CID 12438
Methyl 4-sulphamoylbenzoate
CID 89847
4-(Pyrrolidine-1-sulfonyl)benzoic acid
CID 763651
3-[(4-Methylpiperazin-1-yl)sulfonyl]benzoic acid
CID 1081456
Benzoic acid, 4-(phenylsulfonyl)-
CID 79322
Benzoic acid, 3-(chlorosulfonyl)-
CID 77641

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)benzoic acid?
The IUPAC name of 4-(dimethylsulfamoyl)benzoic acid (CID 14572) is 4-(dimethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(dimethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(dimethylsulfamoyl)benzoic acid is CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)benzoic acid?
The InChIKey is DGVPSAQTQGLBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-10(2)15(13,14)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12).
What are the key properties of 4-(dimethylsulfamoyl)benzoic acid?
4-(dimethylsulfamoyl)benzoic acid has a molecular weight of 229.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)benzoic acid is sourced from PubChem (CID 14572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).