3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide

C21H19N3O3S — CID 7579103

IUPAC3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1
InChIInChI=1S/C21H19N3O3S/c1-2-28(26,27)20-10-6-7-16(15-20)21(25)22-17-11-13-19(14-12-17)24-23-18-8-4-3-5-9-18/h3-15H,2H2,1H3,(H,22,25)/b24-23+
InChIKeyZZJTVCMFYPQEAB-WCWDXBQESA-N
MW393.47 g/mol
LogP5.15
Rot. Bonds6

About 3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide

3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide (PubChem CID 7579103) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide
PubChem CID7579103
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1
InChIInChI=1S/C21H19N3O3S/c1-2-28(26,27)20-10-6-7-16(15-20)21(25)22-17-11-13-19(14-12-17)24-23-18-8-4-3-5-9-18/h3-15H,2H2,1H3,(H,22,25)/b24-23+
InChIKeyZZJTVCMFYPQEAB-WCWDXBQESA-N
XLogP5.15
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
CID 3466026
4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 3597493
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate
CID 7573875
3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide
CID 35781376
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
barium(2+);bis(3-(phenylcarbamoyl)benzenesulfonate);hydrate
CID 2749173
N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide
CID 7295227
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-ethylsulfonylphenyl)benzamide
CID 30841105
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide?
The IUPAC name of 3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide (CID 7579103) is 3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide.
What is the SMILES notation for 3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide?
The canonical SMILES for 3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide is CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1.
What is the InChIKey of 3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide?
The InChIKey is ZZJTVCMFYPQEAB-WCWDXBQESA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-2-28(26,27)20-10-6-7-16(15-20)21(25)22-17-11-13-19(14-12-17)24-23-18-8-4-3-5-9-18/h3-15H,2H2,1H3,(H,22,25)/b24-23+.
What are the key properties of 3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide?
3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide has a molecular weight of 393.47 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide is sourced from PubChem (CID 7579103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).