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

C22H14ClF2N3O4S — CID 6893592

IUPAC(2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2ccccc2o/c1=N\NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H14ClF2N3O4S/c23-18-12-16(9-10-19(18)25)33(30,31)28-27-22-17(11-13-3-1-2-4-20(13)32-22)21(29)26-15-7-5-14(24)6-8-15/h1-12,28H,(H,26,29)/b27-22-
InChIKeySUZZRLKSSVHNAP-QYQHSDTDSA-N
MW489.89 g/mol
LogP4.41
Rot. Bonds5

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

(2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide (PubChem CID 6893592) has the molecular formula C22H14ClF2N3O4S and a molecular weight of 489.89 g/mol. Its IUPAC name is (2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
PubChem CID6893592
Molecular FormulaC22H14ClF2N3O4S
Molecular Weight489.89 g/mol
Exact Mass489.04
IUPAC Name(2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2ccccc2o/c1=N\NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H14ClF2N3O4S/c23-18-12-16(9-10-19(18)25)33(30,31)28-27-22-17(11-13-3-1-2-4-20(13)32-22)21(29)26-15-7-5-14(24)6-8-15/h1-12,28H,(H,26,29)/b27-22-
InChIKeySUZZRLKSSVHNAP-QYQHSDTDSA-N
XLogP4.41
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.89
LogP ≤ 54.41
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

2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 2135926
2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide
CID 2141222
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587
(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)-2-(benzenesulfonylhydrazinylidene)-N-(4-methylphenyl)chromene-3-carboxamide
CID 6893580
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 2135796
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
2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide
CID 2135536
(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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide?
The IUPAC name of (2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide (CID 6893592) is (2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide.
What is the SMILES notation for (2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide?
The canonical SMILES for (2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2ccccc2o/c1=N\NS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of (2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide?
The InChIKey is SUZZRLKSSVHNAP-QYQHSDTDSA-N. The full InChI is InChI=1S/C22H14ClF2N3O4S/c23-18-12-16(9-10-19(18)25)33(30,31)28-27-22-17(11-13-3-1-2-4-20(13)32-22)21(29)26-15-7-5-14(24)6-8-15/h1-12,28H,(H,26,29)/b27-22-.
What are the key properties of (2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide?
(2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide has a molecular weight of 489.89 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide is sourced from PubChem (CID 6893592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).