2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide

C22H17N3O4S — CID 2141222

IUPAC2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2ccccc2oc1=NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H17N3O4S/c26-21(23-17-10-3-1-4-11-17)19-15-16-9-7-8-14-20(16)29-22(19)24-25-30(27,28)18-12-5-2-6-13-18/h1-15,25H,(H,23,26)
InChIKeyROLRCKHLUXCSGO-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.48
Rot. Bonds5

About 2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide

2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide (PubChem CID 2141222) has the molecular formula C22H17N3O4S and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide
PubChem CID2141222
Molecular FormulaC22H17N3O4S
Molecular Weight419.46 g/mol
Exact Mass419.09
IUPAC Name2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2ccccc2oc1=NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H17N3O4S/c26-21(23-17-10-3-1-4-11-17)19-15-16-9-7-8-14-20(16)29-22(19)24-25-30(27,28)18-12-5-2-6-13-18/h1-15,25H,(H,23,26)
InChIKeyROLRCKHLUXCSGO-UHFFFAOYSA-N
XLogP3.48
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.48
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-(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-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 2135926
(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893574
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587
(2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 6893592
(2Z)-N-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893622
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 2136131
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 2135796
8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 2136071
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 2135340

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide?
The IUPAC name of 2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide (CID 2141222) is 2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide.
What is the SMILES notation for 2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide?
The canonical SMILES for 2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide is O=C(Nc1ccccc1)c1cc2ccccc2oc1=NNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide?
The InChIKey is ROLRCKHLUXCSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S/c26-21(23-17-10-3-1-4-11-17)19-15-16-9-7-8-14-20(16)29-22(19)24-25-30(27,28)18-12-5-2-6-13-18/h1-15,25H,(H,23,26).
What are the key properties of 2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide?
2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 2141222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).