2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide

C20H16ClN3O3S — CID 7544010

IUPAC2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C20H16ClN3O3S/c21-15-6-12-19(13-7-15)28(26,27)14-20(25)22-16-8-10-18(11-9-16)24-23-17-4-2-1-3-5-17/h1-13H,14H2,(H,22,25)/b24-23+
InChIKeyREURKHODVFFWOC-WCWDXBQESA-N
MW413.89 g/mol
LogP5.17
Rot. Bonds6

About 2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide

2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide (PubChem CID 7544010) has the molecular formula C20H16ClN3O3S and a molecular weight of 413.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide
PubChem CID7544010
Molecular FormulaC20H16ClN3O3S
Molecular Weight413.89 g/mol
Exact Mass413.06
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C20H16ClN3O3S/c21-15-6-12-19(13-7-15)28(26,27)14-20(25)22-16-8-10-18(11-9-16)24-23-17-4-2-1-3-5-17/h1-13H,14H2,(H,22,25)/b24-23+
InChIKeyREURKHODVFFWOC-WCWDXBQESA-N
XLogP5.17
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.89
LogP ≤ 55.17
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

1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
2-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 27449078
N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444150
4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 4289928
2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide
CID 7544014
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 22584796
N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide
CID 51193950
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
2-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)acetamide
CID 24655866
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide
CID 43444152

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide (CID 7544010) is 2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide is O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide?
The InChIKey is REURKHODVFFWOC-WCWDXBQESA-N. The full InChI is InChI=1S/C20H16ClN3O3S/c21-15-6-12-19(13-7-15)28(26,27)14-20(25)22-16-8-10-18(11-9-16)24-23-17-4-2-1-3-5-17/h1-13H,14H2,(H,22,25)/b24-23+.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide?
2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide has a molecular weight of 413.89 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide is sourced from PubChem (CID 7544010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).