[4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate

C20H16ClN3O4S — CID 5117277

IUPAC[4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate
SMILESCc1ccc(S(=O)(=O)/N=N/c2ccc(NOC(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H16ClN3O4S/c1-14-2-12-19(13-3-14)29(26,27)24-22-17-8-10-18(11-9-17)23-28-20(25)15-4-6-16(21)7-5-15/h2-13,23H,1H3/b24-22+
InChIKeyRTXFISDCJPMONS-ZNTNEXAZSA-N
MW429.89 g/mol
LogP5.30
Rot. Bonds6

About [4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate

[4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate (PubChem CID 5117277) has the molecular formula C20H16ClN3O4S and a molecular weight of 429.89 g/mol. Its IUPAC name is [4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate.

Molecular Properties

Compound Name[4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate
PubChem CID5117277
Molecular FormulaC20H16ClN3O4S
Molecular Weight429.89 g/mol
Exact Mass429.06
IUPAC Name[4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate
SMILESCc1ccc(S(=O)(=O)/N=N/c2ccc(NOC(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H16ClN3O4S/c1-14-2-12-19(13-3-14)29(26,27)24-22-17-8-10-18(11-9-17)23-28-20(25)15-4-6-16(21)7-5-15/h2-13,23H,1H3/b24-22+
InChIKeyRTXFISDCJPMONS-ZNTNEXAZSA-N
XLogP5.30
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.89
LogP ≤ 55.30
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate 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-(benzoyldiazenyl)anilino] 4-methylbenzoate
CID 5120906
[4-[(4-chlorobenzoyl)diazenyl]anilino] 3,4-dimethoxybenzoate
CID 5230149
N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2982049
N-(4-methylphenyl)iminobenzenesulfonamide
CID 10869025
[4-[(3-hydroxynaphthalene-2-carbonyl)diazenyl]anilino] 4-chlorobenzoate
CID 5117471
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 2819847
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10688715
methyl 4-[[amino-(4-chlorophenyl)-oxo-λ6-sulfanylidene]methylamino]benzoate
CID 143442897

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate?
The IUPAC name of [4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate (CID 5117277) is [4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate.
What is the SMILES notation for [4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate?
The canonical SMILES for [4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate is Cc1ccc(S(=O)(=O)/N=N/c2ccc(NOC(=O)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate?
The InChIKey is RTXFISDCJPMONS-ZNTNEXAZSA-N. The full InChI is InChI=1S/C20H16ClN3O4S/c1-14-2-12-19(13-3-14)29(26,27)24-22-17-8-10-18(11-9-17)23-28-20(25)15-4-6-16(21)7-5-15/h2-13,23H,1H3/b24-22+.
What are the key properties of [4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate?
[4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate has a molecular weight of 429.89 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-chlorobenzoate is sourced from PubChem (CID 5117277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).