(2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide

C24H21N3O4S — CID 92666370

IUPAC(2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N/N=c2/oc3ccccc3cc2C(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C24H21N3O4S/c1-16-12-13-20(14-17(16)2)32(29,30)27-26-24-21(15-18-8-6-7-11-22(18)31-24)23(28)25-19-9-4-3-5-10-19/h3-15,27H,1-2H3,(H,25,28)/b26-24+
InChIKeyWLZPZFVOBPPZFI-SHHOIMCASA-N
MW447.52 g/mol
LogP4.10
Rot. Bonds5

About (2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide

(2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide (PubChem CID 92666370) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is (2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name(2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
PubChem CID92666370
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name(2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N/N=c2/oc3ccccc3cc2C(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C24H21N3O4S/c1-16-12-13-20(14-17(16)2)32(29,30)27-26-24-21(15-18-8-6-7-11-22(18)31-24)23(28)25-19-9-4-3-5-10-19/h3-15,27H,1-2H3,(H,25,28)/b26-24+
InChIKeyWLZPZFVOBPPZFI-SHHOIMCASA-N
XLogP4.10
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 46257237
2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide
CID 2141222
(2Z)-2-(benzenesulfonylhydrazinylidene)-N-(4-methylphenyl)chromene-3-carboxamide
CID 6893580
(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-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 6893566
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 2135926
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 2135796
(2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 6893592
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 2136131
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587
8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 2136071

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide?
The IUPAC name of (2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide (CID 92666370) is (2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide.
What is the SMILES notation for (2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide?
The canonical SMILES for (2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide is Cc1ccc(S(=O)(=O)N/N=c2/oc3ccccc3cc2C(=O)Nc2ccccc2)cc1C.
What is the InChIKey of (2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide?
The InChIKey is WLZPZFVOBPPZFI-SHHOIMCASA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-16-12-13-20(14-17(16)2)32(29,30)27-26-24-21(15-18-8-6-7-11-22(18)31-24)23(28)25-19-9-4-3-5-10-19/h3-15,27H,1-2H3,(H,25,28)/b26-24+.
What are the key properties of (2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide?
(2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 92666370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).