4-[benzamido(phenyl)sulfamoyl]benzoate

C20H15N2O5S- — CID 7730483

IUPAC4-[benzamido(phenyl)sulfamoyl]benzoate
SMILESO=C([O-])c1ccc(S(=O)(=O)N(NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O5S/c23-19(15-7-3-1-4-8-15)21-22(17-9-5-2-6-10-17)28(26,27)18-13-11-16(12-14-18)20(24)25/h1-14H,(H,21,23)(H,24,25)/p-1
InChIKeyPVAHLBXVWREDAC-UHFFFAOYSA-M
MW395.42 g/mol
LogP1.59
Rot. Bonds6

About 4-[benzamido(phenyl)sulfamoyl]benzoate

4-[benzamido(phenyl)sulfamoyl]benzoate (PubChem CID 7730483) has the molecular formula C20H15N2O5S- and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-[benzamido(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name4-[benzamido(phenyl)sulfamoyl]benzoate
PubChem CID7730483
Molecular FormulaC20H15N2O5S-
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC Name4-[benzamido(phenyl)sulfamoyl]benzoate
SMILESO=C([O-])c1ccc(S(=O)(=O)N(NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O5S/c23-19(15-7-3-1-4-8-15)21-22(17-9-5-2-6-10-17)28(26,27)18-13-11-16(12-14-18)20(24)25/h1-14H,(H,21,23)(H,24,25)/p-1
InChIKeyPVAHLBXVWREDAC-UHFFFAOYSA-M
XLogP1.59
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[benzamido(phenyl)sulfamoyl]benzoate 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

N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide
CID 7760850
N'-naphthalen-1-ylsulfonyl-N'-phenylbenzohydrazide
CID 7730468
cadmium(2+) benzoate
CID 22051861
1-[N-(benzenesulfonyl)anilino]-3-phenylurea
CID 146401707
N',N'-dibenzamidobenzohydrazide
CID 91211036
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
tetrakis(oxygen(2-));tris(titanium(4+));tetrabenzoate
CID 173296038
phenyl N-[N-(benzenesulfonyl)anilino]carbamate
CID 122517077
cadmium benzoate
CID 170839001
cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733

Frequently Asked Questions

What is the IUPAC name of 4-[benzamido(phenyl)sulfamoyl]benzoate?
The IUPAC name of 4-[benzamido(phenyl)sulfamoyl]benzoate (CID 7730483) is 4-[benzamido(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for 4-[benzamido(phenyl)sulfamoyl]benzoate?
The canonical SMILES for 4-[benzamido(phenyl)sulfamoyl]benzoate is O=C([O-])c1ccc(S(=O)(=O)N(NC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[benzamido(phenyl)sulfamoyl]benzoate?
The InChIKey is PVAHLBXVWREDAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16N2O5S/c23-19(15-7-3-1-4-8-15)21-22(17-9-5-2-6-10-17)28(26,27)18-13-11-16(12-14-18)20(24)25/h1-14H,(H,21,23)(H,24,25)/p-1.
What are the key properties of 4-[benzamido(phenyl)sulfamoyl]benzoate?
4-[benzamido(phenyl)sulfamoyl]benzoate has a molecular weight of 395.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzamido(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 7730483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).