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

C23H18ClN3O4S — CID 2135796

IUPAC2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccccc2oc1=NNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O4S/c1-15-6-2-4-8-20(15)25-22(28)19-14-16-7-3-5-9-21(16)31-23(19)26-27-32(29,30)18-12-10-17(24)11-13-18/h2-14,27H,1H3,(H,25,28)
InChIKeyMOVYSHNOVBVKNQ-UHFFFAOYSA-N
MW467.93 g/mol
LogP4.44
Rot. Bonds5

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

2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide (PubChem CID 2135796) has the molecular formula C23H18ClN3O4S and a molecular weight of 467.93 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
PubChem CID2135796
Molecular FormulaC23H18ClN3O4S
Molecular Weight467.93 g/mol
Exact Mass467.07
IUPAC Name2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccccc2oc1=NNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O4S/c1-15-6-2-4-8-20(15)25-22(28)19-14-16-7-3-5-9-21(16)31-23(19)26-27-32(29,30)18-12-10-17(24)11-13-18/h2-14,27H,1H3,(H,25,28)
InChIKeyMOVYSHNOVBVKNQ-UHFFFAOYSA-N
XLogP4.44
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 54.44
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-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 6893566
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 2135926
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 2135340
(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)-2-(benzenesulfonylhydrazinylidene)-N-(4-methylphenyl)chromene-3-carboxamide
CID 6893580
2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide
CID 2135536
(2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide
CID 46257266
(2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 6893592
2-(2-chlorophenyl)imino-N-(2-methylphenyl)chromene-3-carboxamide
CID 51367890

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide (CID 2135796) is 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide is Cc1ccccc1NC(=O)c1cc2ccccc2oc1=NNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide?
The InChIKey is MOVYSHNOVBVKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4S/c1-15-6-2-4-8-20(15)25-22(28)19-14-16-7-3-5-9-21(16)31-23(19)26-27-32(29,30)18-12-10-17(24)11-13-18/h2-14,27H,1H3,(H,25,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide?
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide has a molecular weight of 467.93 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 2135796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).