(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide

C24H20ClN3O5S — CID 6893577

IUPAC(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(C)c3)/c(=N/NS(=O)(=O)c3ccc(Cl)cc3)oc12
InChIInChI=1S/C24H20ClN3O5S/c1-15-5-3-7-18(13-15)26-23(29)20-14-16-6-4-8-21(32-2)22(16)33-24(20)27-28-34(30,31)19-11-9-17(25)10-12-19/h3-14,28H,1-2H3,(H,26,29)/b27-24-
InChIKeyNJQQMCKLCYRYTN-PNHLSOANSA-N
MW497.96 g/mol
LogP4.45
Rot. Bonds6

About (2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide

(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide (PubChem CID 6893577) has the molecular formula C24H20ClN3O5S and a molecular weight of 497.96 g/mol. Its IUPAC name is (2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide
PubChem CID6893577
Molecular FormulaC24H20ClN3O5S
Molecular Weight497.96 g/mol
Exact Mass497.08
IUPAC Name(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(C)c3)/c(=N/NS(=O)(=O)c3ccc(Cl)cc3)oc12
InChIInChI=1S/C24H20ClN3O5S/c1-15-5-3-7-18(13-15)26-23(29)20-14-16-6-4-8-21(32-2)22(16)33-24(20)27-28-34(30,31)19-11-9-17(25)10-12-19/h3-14,28H,1-2H3,(H,26,29)/b27-24-
InChIKeyNJQQMCKLCYRYTN-PNHLSOANSA-N
XLogP4.45
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 54.45
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
8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 2136071
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587
(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
(2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide
CID 5403929
(2Z)-N-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893622
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 2135926
(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893574
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 2135796
(2Z)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893620
(2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 92666370

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide?
The IUPAC name of (2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide (CID 6893577) is (2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide.
What is the SMILES notation for (2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide?
The canonical SMILES for (2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3cccc(C)c3)/c(=N/NS(=O)(=O)c3ccc(Cl)cc3)oc12.
What is the InChIKey of (2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide?
The InChIKey is NJQQMCKLCYRYTN-PNHLSOANSA-N. The full InChI is InChI=1S/C24H20ClN3O5S/c1-15-5-3-7-18(13-15)26-23(29)20-14-16-6-4-8-21(32-2)22(16)33-24(20)27-28-34(30,31)19-11-9-17(25)10-12-19/h3-14,28H,1-2H3,(H,26,29)/b27-24-.
What are the key properties of (2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide?
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide has a molecular weight of 497.96 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 6893577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).