3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate

C19H14N3O4S- — CID 7573875

IUPAC3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate
SMILESO=C([O-])c1cccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1
InChIInChI=1S/C19H15N3O4S/c23-19(24)14-5-4-8-18(13-14)27(25,26)22-17-11-9-16(10-12-17)21-20-15-6-2-1-3-7-15/h1-13,22H,(H,23,24)/p-1/b21-20+
InChIKeyRELHDGDAWBOWKG-QZQOTICOSA-M
MW380.41 g/mol
LogP3.27
Rot. Bonds6

About 3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate

3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate (PubChem CID 7573875) has the molecular formula C19H14N3O4S- and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate
PubChem CID7573875
Molecular FormulaC19H14N3O4S-
Molecular Weight380.41 g/mol
Exact Mass380.07
IUPAC Name3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate
SMILESO=C([O-])c1cccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1
InChIInChI=1S/C19H15N3O4S/c23-19(24)14-5-4-8-18(13-14)27(25,26)22-17-11-9-16(10-12-17)21-20-15-6-2-1-3-7-15/h1-13,22H,(H,23,24)/p-1/b21-20+
InChIKeyRELHDGDAWBOWKG-QZQOTICOSA-M
XLogP3.27
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 3-[(4-phenyldiazenylphenyl)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

3-[(3-carboxylatophenyl)sulfonylamino]benzoate
CID 4517286
3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 4100122
3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 22774852
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
CID 8001167
3-(phenylsulfamoyl)benzoyl chloride
CID 22137852
4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 4289928
4-(phenylsulfamoyl)benzoate
CID 6997297
4-[[3-[(4-iodophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6968790
2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid
CID 134249060
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate?
The IUPAC name of 3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate (CID 7573875) is 3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for 3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate?
The canonical SMILES for 3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate is O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1.
What is the InChIKey of 3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate?
The InChIKey is RELHDGDAWBOWKG-QZQOTICOSA-M. The full InChI is InChI=1S/C19H15N3O4S/c23-19(24)14-5-4-8-18(13-14)27(25,26)22-17-11-9-16(10-12-17)21-20-15-6-2-1-3-7-15/h1-13,22H,(H,23,24)/p-1/b21-20+.
What are the key properties of 3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate?
3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate has a molecular weight of 380.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 7573875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).