(3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide

C24H19ClF2N2O3S — CID 162525062

IUPAC(3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide
SMILESCN1C(=O)/C(=C/c2ccc(Cl)cc2)c2cc(S(=O)(=O)N(C)Cc3ccc(F)cc3F)ccc21
InChIInChI=1S/C24H19ClF2N2O3S/c1-28(14-16-5-8-18(26)12-22(16)27)33(31,32)19-9-10-23-20(13-19)21(24(30)29(23)2)11-15-3-6-17(25)7-4-15/h3-13H,14H2,1-2H3/b21-11+
InChIKeyZTOXRVGPOSZNDI-SRZZPIQSSA-N
MW488.94 g/mol
LogP4.96
Rot. Bonds5

About (3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide

(3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide (PubChem CID 162525062) has the molecular formula C24H19ClF2N2O3S and a molecular weight of 488.94 g/mol. Its IUPAC name is (3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound Name(3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide
PubChem CID162525062
Molecular FormulaC24H19ClF2N2O3S
Molecular Weight488.94 g/mol
Exact Mass488.08
IUPAC Name(3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide
SMILESCN1C(=O)/C(=C/c2ccc(Cl)cc2)c2cc(S(=O)(=O)N(C)Cc3ccc(F)cc3F)ccc21
InChIInChI=1S/C24H19ClF2N2O3S/c1-28(14-16-5-8-18(26)12-22(16)27)33(31,32)19-9-10-23-20(13-19)21(24(30)29(23)2)11-15-3-6-17(25)7-4-15/h3-13H,14H2,1-2H3/b21-11+
InChIKeyZTOXRVGPOSZNDI-SRZZPIQSSA-N
XLogP4.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.94
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(3,4-Dichlorophenyl)methyl]-2-oxo-5-piperidin-1-ylsulfonylindol-3-ylidene]propanedinitrile
CID 42618280
2-[5-(Azetidin-1-ylsulfonyl)-1-[(3,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]propanedinitrile
CID 42618290
2-[1-[(3,4-Dichlorophenyl)methyl]-2-oxo-5-pyrrolidin-1-ylsulfonylindol-3-ylidene]propanedinitrile
CID 42618293
N-(3-chlorophenylsulfonyl)-3-(1-(2,4-dichlorobenzyl)-2-oxoindolin-7-yl)acrylamide
CID 46885343
3-(1-(2,4-dichlorobenzyl)-2-oxoindolin-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide
CID 46885384
3-(1-(2,4-dichlorobenzyl)-2-oxoindolin-7-yl)-N-(3,4-difluorophenylsulfonyl)acrylamide
CID 46885385
N-(3,4-dichlorophenylsulfonyl)-3-(1-(3,4-difluorobenzyl)-2-oxoindolin-7-yl)acrylamide
CID 46885503
N-(3-chlorophenylsulfonyl)-3-(1-(3,4-difluorobenzyl)-2-oxoindolin-7-yl)acrylamide
CID 46885504
3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-yl)-N-(3,4-difluorophenylsulfonyl)acrylamide
CID 46885604
3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide
CID 46885651
3-(1-(2,4-dichlorobenzyl)-3,3-difluoro-2-oxoindolin-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide
CID 46885786
3-(1-(2,4-dichlorobenzyl)-3,3-difluoro-2-oxoindolin-7-yl)-N-(3,4-difluorophenylsulfonyl)acrylamide
CID 46885837

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide?
The IUPAC name of (3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide (CID 162525062) is (3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide.
What is the SMILES notation for (3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide?
The canonical SMILES for (3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide is CN1C(=O)/C(=C/c2ccc(Cl)cc2)c2cc(S(=O)(=O)N(C)Cc3ccc(F)cc3F)ccc21.
What is the InChIKey of (3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide?
The InChIKey is ZTOXRVGPOSZNDI-SRZZPIQSSA-N. The full InChI is InChI=1S/C24H19ClF2N2O3S/c1-28(14-16-5-8-18(26)12-22(16)27)33(31,32)19-9-10-23-20(13-19)21(24(30)29(23)2)11-15-3-6-17(25)7-4-15/h3-13H,14H2,1-2H3/b21-11+.
What are the key properties of (3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide?
(3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide has a molecular weight of 488.94 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-chlorophenyl)methylidene]-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 162525062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).