2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid

C16H14N2O6S — CID 8574

💊View drug profile → phthalylsulfacetamide
IUPAC2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H14N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h2-9H,1H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeySNWQKAWITMVCQW-UHFFFAOYSA-N
MW362.36 g/mol
LogP1.46
Rot. Bonds5

About 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid

2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid (PubChem CID 8574) has the molecular formula C16H14N2O6S and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid
PubChem CID8574
Molecular FormulaC16H14N2O6S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC Name2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H14N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h2-9H,1H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeySNWQKAWITMVCQW-UHFFFAOYSA-N
XLogP1.46
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]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

Phthalanilic acid
CID 78458
3'-Methylphthalanilic acid
CID 6821
Sulfaloxic Acid
CID 65610
2-(((2,3-Dimethylphenyl)amino)carbonyl)benzoic acid
CID 98770
2-Hydroxy-6-[(3-methylphenyl)sulfamoyl]quinoline-4-carboxylic acid
CID 2396440
N-(3,4-Xylyl)phthalamic acid
CID 295107
2-((2-(Aminocarbonyl)anilino)carbonyl)benzoic acid
CID 318129
2-{[3-(2-Toluidinocarbonyl)anilino]carbonyl}benzoic acid
CID 1070509
5-Acetamido-2-(2-carboxyphenylthio)benzoic acid
CID 2824963
Phthalamic acid, N-(p-fluorophenyl)-
CID 97259
2'-Fluorophthalanilic acid
CID 295150
4-[[3-[(3-Boronophenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid
CID 52940007

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid (CID 8574) is 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is SNWQKAWITMVCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h2-9H,1H3,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid?
2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 362.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 8574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).