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

C23H17F2N3O4S — CID 2135340

IUPACN-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NN=c2oc3ccccc3cc2C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C23H17F2N3O4S/c1-14-6-9-17(10-7-14)33(30,31)28-27-23-18(12-15-4-2-3-5-21(15)32-23)22(29)26-20-11-8-16(24)13-19(20)25/h2-13,28H,1H3,(H,26,29)
InChIKeyGZLNXQXQDXFMLH-UHFFFAOYSA-N
MW469.47 g/mol
LogP4.07
Rot. Bonds5

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

N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide (PubChem CID 2135340) has the molecular formula C23H17F2N3O4S and a molecular weight of 469.47 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
PubChem CID2135340
Molecular FormulaC23H17F2N3O4S
Molecular Weight469.47 g/mol
Exact Mass469.09
IUPAC NameN-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NN=c2oc3ccccc3cc2C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C23H17F2N3O4S/c1-14-6-9-17(10-7-14)33(30,31)28-27-23-18(12-15-4-2-3-5-21(15)32-23)22(29)26-20-11-8-16(24)13-19(20)25/h2-13,28H,1H3,(H,26,29)
InChIKeyGZLNXQXQDXFMLH-UHFFFAOYSA-N
XLogP4.07
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 54.07
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
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 2135796
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 2135926
(2Z)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893620
(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
(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-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 6893566
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide (CID 2135340) is N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide is Cc1ccc(S(=O)(=O)NN=c2oc3ccccc3cc2C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide?
The InChIKey is GZLNXQXQDXFMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O4S/c1-14-6-9-17(10-7-14)33(30,31)28-27-23-18(12-15-4-2-3-5-21(15)32-23)22(29)26-20-11-8-16(24)13-19(20)25/h2-13,28H,1H3,(H,26,29).
What are the key properties of N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide?
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide has a molecular weight of 469.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide is sourced from PubChem (CID 2135340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).