2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide

C23H18ClN3O4S2 — CID 4260826

IUPAC2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(CC1SC(=NS(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O4S2/c24-16-11-13-17(14-12-16)25-21(28)15-20-22(29)27(18-7-3-1-4-8-18)23(32-20)26-33(30,31)19-9-5-2-6-10-19/h1-14,20H,15H2,(H,25,28)
InChIKeyFFCXSZXBVDEEOP-UHFFFAOYSA-N
MW500.00 g/mol
LogP4.56
Rot. Bonds6

About 2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide

2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 4260826) has the molecular formula C23H18ClN3O4S2 and a molecular weight of 500.00 g/mol. Its IUPAC name is 2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
PubChem CID4260826
Molecular FormulaC23H18ClN3O4S2
Molecular Weight500.00 g/mol
Exact Mass499.04
IUPAC Name2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(CC1SC(=NS(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O4S2/c24-16-11-13-17(14-12-16)25-21(28)15-20-22(29)27(18-7-3-1-4-8-18)23(32-20)26-33(30,31)19-9-5-2-6-10-19/h1-14,20H,15H2,(H,25,28)
InChIKeyFFCXSZXBVDEEOP-UHFFFAOYSA-N
XLogP4.56
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.00
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5R)-2-(4-chlorophenyl)sulfonylimino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 98157237
2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 41168164
2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 3593657
2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 1236136
2-[(5R)-2-(4-bromophenyl)sulfonylimino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 98157005
2-[(5R)-2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 42497013
2-[2-(4-chlorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 5234683
N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide
CID 51445664
N-(4-methoxyphenyl)-2-(4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl)acetamide
CID 4317700
2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 1243248
N-[(5R)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
CID 27317882
N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
CID 27317879

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide (CID 4260826) is 2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide is O=C(CC1SC(=NS(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is FFCXSZXBVDEEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4S2/c24-16-11-13-17(14-12-16)25-21(28)15-20-22(29)27(18-7-3-1-4-8-18)23(32-20)26-33(30,31)19-9-5-2-6-10-19/h1-14,20H,15H2,(H,25,28).
What are the key properties of 2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide?
2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 500.00 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 4260826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).