8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide

C24H21N3O5S — CID 2136071

IUPAC8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3)c(=NNS(=O)(=O)c3ccc(C)cc3)oc12
InChIInChI=1S/C24H21N3O5S/c1-16-11-13-19(14-12-16)33(29,30)27-26-24-20(23(28)25-18-8-4-3-5-9-18)15-17-7-6-10-21(31-2)22(17)32-24/h3-15,27H,1-2H3,(H,25,28)
InChIKeyIMEQEZOOJRATCE-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.80
Rot. Bonds6

About 8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide

8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide (PubChem CID 2136071) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is 8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
PubChem CID2136071
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC Name8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3)c(=NNS(=O)(=O)c3ccc(C)cc3)oc12
InChIInChI=1S/C24H21N3O5S/c1-16-11-13-19(14-12-16)33(29,30)27-26-24-20(23(28)25-18-8-4-3-5-9-18)15-17-7-6-10-21(31-2)22(17)32-24/h3-15,27H,1-2H3,(H,25,28)
InChIKeyIMEQEZOOJRATCE-UHFFFAOYSA-N
XLogP3.80
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-8-methoxy-N-(3-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893598
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide
CID 6893577
(2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide
CID 46257266
(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide
CID 41493067
(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893574
(2Z)-N-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893622
(2Z)-2-(benzenesulfonylhydrazinylidene)-N-(4-methylphenyl)chromene-3-carboxamide
CID 6893580
(2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 92666370
(2Z)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 46257237
2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide
CID 2141222
(2Z)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893620
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide (CID 2136071) is 8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccccc3)c(=NNS(=O)(=O)c3ccc(C)cc3)oc12.
What is the InChIKey of 8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide?
The InChIKey is IMEQEZOOJRATCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-16-11-13-19(14-12-16)33(29,30)27-26-24-20(23(28)25-18-8-4-3-5-9-18)15-17-7-6-10-21(31-2)22(17)32-24/h3-15,27H,1-2H3,(H,25,28).
What are the key properties of 8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide?
8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 2136071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).