4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid

C16H16N2O5S — CID 24580861

IUPAC4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-18(2)15(19)11-3-7-13(8-4-11)17-24(22,23)14-9-5-12(6-10-14)16(20)21/h3-10,17H,1-2H3,(H,20,21)
InChIKeyNMMMVIHJPLVMSQ-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.89
Rot. Bonds5

About 4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid

4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid (PubChem CID 24580861) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
PubChem CID24580861
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-18(2)15(19)11-3-7-13(8-4-11)17-24(22,23)14-9-5-12(6-10-14)16(20)21/h3-10,17H,1-2H3,(H,20,21)
InChIKeyNMMMVIHJPLVMSQ-UHFFFAOYSA-N
XLogP1.89
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]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

4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
N,N-dimethyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 24580834
3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid
CID 24580865
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580816
4-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580843
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide
CID 24580864
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676906
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
N,N-dimethyl-4-(sulfamoylamino)benzamide
CID 112573421

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid (CID 24580861) is 4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid is CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is NMMMVIHJPLVMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-18(2)15(19)11-3-7-13(8-4-11)17-24(22,23)14-9-5-12(6-10-14)16(20)21/h3-10,17H,1-2H3,(H,20,21).
What are the key properties of 4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid?
4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 348.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 24580861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).