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

C24H20FN3O6S — CID 2135536

IUPAC2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NN=c2oc3ccccc3cc2C(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C24H20FN3O6S/c1-32-21-12-11-16(14-22(21)33-2)35(30,31)28-27-24-17(13-15-7-3-6-10-20(15)34-24)23(29)26-19-9-5-4-8-18(19)25/h3-14,28H,1-2H3,(H,26,29)
InChIKeyNPLQEQDIEPZFBW-UHFFFAOYSA-N
MW497.50 g/mol
LogP3.64
Rot. Bonds7

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

2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide (PubChem CID 2135536) has the molecular formula C24H20FN3O6S and a molecular weight of 497.50 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide
PubChem CID2135536
Molecular FormulaC24H20FN3O6S
Molecular Weight497.50 g/mol
Exact Mass497.11
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NN=c2oc3ccccc3cc2C(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C24H20FN3O6S/c1-32-21-12-11-16(14-22(21)33-2)35(30,31)28-27-24-17(13-15-7-3-6-10-20(15)34-24)23(29)26-19-9-5-4-8-18(19)25/h3-14,28H,1-2H3,(H,26,29)
InChIKeyNPLQEQDIEPZFBW-UHFFFAOYSA-N
XLogP3.64
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide
CID 41493067
(2Z)-N-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893622
(2Z)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893620
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 2135340
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 2135796
(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-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893574
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 2135926
(2Z)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 6893592

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide (CID 2135536) is 2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide is COc1ccc(S(=O)(=O)NN=c2oc3ccccc3cc2C(=O)Nc2ccccc2F)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide?
The InChIKey is NPLQEQDIEPZFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O6S/c1-32-21-12-11-16(14-22(21)33-2)35(30,31)28-27-24-17(13-15-7-3-6-10-20(15)34-24)23(29)26-19-9-5-4-8-18(19)25/h3-14,28H,1-2H3,(H,26,29).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide?
2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide has a molecular weight of 497.50 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide is sourced from PubChem (CID 2135536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).