(2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide

C25H23N3O6S — CID 6893566

IUPAC(2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C25H23N3O6S/c1-16-8-4-6-10-20(16)26-24(29)19-14-17-9-5-7-11-21(17)34-25(19)27-28-35(30,31)18-12-13-22(32-2)23(15-18)33-3/h4-15,28H,1-3H3,(H,26,29)/b27-25-
InChIKeyIZDQEHYQYPCZMT-RFBIWTDZSA-N
MW493.54 g/mol
LogP3.80
Rot. Bonds7

About (2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide

(2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide (PubChem CID 6893566) has the molecular formula C25H23N3O6S and a molecular weight of 493.54 g/mol. Its IUPAC name is (2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
PubChem CID6893566
Molecular FormulaC25H23N3O6S
Molecular Weight493.54 g/mol
Exact Mass493.13
IUPAC Name(2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C25H23N3O6S/c1-16-8-4-6-10-20(16)26-24(29)19-14-17-9-5-7-11-21(17)34-25(19)27-28-35(30,31)18-12-13-22(32-2)23(15-18)33-3/h4-15,28H,1-3H3,(H,26,29)/b27-25-
InChIKeyIZDQEHYQYPCZMT-RFBIWTDZSA-N
XLogP3.80
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide
CID 2135536
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 2135796
(2Z)-N-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893622
(2Z)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893620
(2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide
CID 46257266
(2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 92666370
(2Z)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 46257237
(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893574
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 2135340
2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide
CID 2141222
(2Z)-2-(benzenesulfonylhydrazinylidene)-N-(4-methylphenyl)chromene-3-carboxamide
CID 6893580
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide?
The IUPAC name of (2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide (CID 6893566) is (2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide.
What is the SMILES notation for (2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide?
The canonical SMILES for (2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide is COc1ccc(S(=O)(=O)N/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1OC.
What is the InChIKey of (2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide?
The InChIKey is IZDQEHYQYPCZMT-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H23N3O6S/c1-16-8-4-6-10-20(16)26-24(29)19-14-17-9-5-7-11-21(17)34-25(19)27-28-35(30,31)18-12-13-22(32-2)23(15-18)33-3/h4-15,28H,1-3H3,(H,26,29)/b27-25-.
What are the key properties of (2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide?
(2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide has a molecular weight of 493.54 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 6893566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).