(3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide

C24H14Cl2FN3O5S2 — CID 59908282

IUPAC(3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide
SMILESO=C1NC(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc32)S1
InChIInChI=1S/C24H14Cl2FN3O5S2/c25-17-7-1-12(9-18(17)26)11-30-19-8-6-15(37(34,35)29-14-4-2-13(27)3-5-14)10-16(19)20(23(30)32)21-22(31)28-24(33)36-21/h1-10,29H,11H2,(H,28,31,33)/b21-20-
InChIKeyZONBJVFXWIBDFQ-MRCUWXFGSA-N
MW578.43 g/mol
LogP5.17
Rot. Bonds5

About (3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide

(3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide (PubChem CID 59908282) has the molecular formula C24H14Cl2FN3O5S2 and a molecular weight of 578.43 g/mol. Its IUPAC name is (3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide
PubChem CID59908282
Molecular FormulaC24H14Cl2FN3O5S2
Molecular Weight578.43 g/mol
Exact Mass576.97
IUPAC Name(3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide
SMILESO=C1NC(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc32)S1
InChIInChI=1S/C24H14Cl2FN3O5S2/c25-17-7-1-12(9-18(17)26)11-30-19-8-6-15(37(34,35)29-14-4-2-13(27)3-5-14)10-16(19)20(23(30)32)21-22(31)28-24(33)36-21/h1-10,29H,11H2,(H,28,31,33)/b21-20-
InChIKeyZONBJVFXWIBDFQ-MRCUWXFGSA-N
XLogP5.17
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.43
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide?
The IUPAC name of (3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide (CID 59908282) is (3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide.
What is the SMILES notation for (3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide?
The canonical SMILES for (3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide is O=C1NC(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc32)S1.
What is the InChIKey of (3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide?
The InChIKey is ZONBJVFXWIBDFQ-MRCUWXFGSA-N. The full InChI is InChI=1S/C24H14Cl2FN3O5S2/c25-17-7-1-12(9-18(17)26)11-30-19-8-6-15(37(34,35)29-14-4-2-13(27)3-5-14)10-16(19)20(23(30)32)21-22(31)28-24(33)36-21/h1-10,29H,11H2,(H,28,31,33)/b21-20-.
What are the key properties of (3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide?
(3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide has a molecular weight of 578.43 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 59908282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).