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

C22H15ClFN3O4S — CID 2135926

IUPAC2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2ccccc2oc1=NNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClFN3O4S/c23-15-5-11-18(12-6-15)32(29,30)27-26-22-19(13-14-3-1-2-4-20(14)31-22)21(28)25-17-9-7-16(24)8-10-17/h1-13,27H,(H,25,28)
InChIKeyHNAWJKKEAWAYFR-UHFFFAOYSA-N
MW471.90 g/mol
LogP4.27
Rot. Bonds5

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

2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide (PubChem CID 2135926) has the molecular formula C22H15ClFN3O4S and a molecular weight of 471.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
PubChem CID2135926
Molecular FormulaC22H15ClFN3O4S
Molecular Weight471.90 g/mol
Exact Mass471.05
IUPAC Name2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2ccccc2oc1=NNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClFN3O4S/c23-15-5-11-18(12-6-15)32(29,30)27-26-22-19(13-14-3-1-2-4-20(14)31-22)21(28)25-17-9-7-16(24)8-10-17/h1-13,27H,(H,25,28)
InChIKeyHNAWJKKEAWAYFR-UHFFFAOYSA-N
XLogP4.27
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.90
LogP ≤ 54.27
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-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 6893592
2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide
CID 2141222
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 2135796
(2Z)-2-(benzenesulfonylhydrazinylidene)-N-(4-methylphenyl)chromene-3-carboxamide
CID 6893580
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 2135340
(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893574
(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-(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-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide
CID 2135536

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide (CID 2135926) is 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2ccccc2oc1=NNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide?
The InChIKey is HNAWJKKEAWAYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O4S/c23-15-5-11-18(12-6-15)32(29,30)27-26-22-19(13-14-3-1-2-4-20(14)31-22)21(28)25-17-9-7-16(24)8-10-17/h1-13,27H,(H,25,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide?
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide has a molecular weight of 471.90 g/mol, XLogP of 4.27, 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-(4-fluorophenyl)chromene-3-carboxamide is sourced from PubChem (CID 2135926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).