4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide

C24H23ClN2O3S2 — CID 42804460

IUPAC4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
SMILESCC(C)c1ccc(N2C(=O)CSC2c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C24H23ClN2O3S2/c1-16(2)17-6-10-21(11-7-17)27-23(28)15-31-24(27)18-4-3-5-20(14-18)26-32(29,30)22-12-8-19(25)9-13-22/h3-14,16,24,26H,15H2,1-2H3
InChIKeyROEYCHJWFPHVLI-UHFFFAOYSA-N
MW487.05 g/mol
LogP6.04
Rot. Bonds6

About 4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide

4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide (PubChem CID 42804460) has the molecular formula C24H23ClN2O3S2 and a molecular weight of 487.05 g/mol. Its IUPAC name is 4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
PubChem CID42804460
Molecular FormulaC24H23ClN2O3S2
Molecular Weight487.05 g/mol
Exact Mass486.08
IUPAC Name4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
SMILESCC(C)c1ccc(N2C(=O)CSC2c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C24H23ClN2O3S2/c1-16(2)17-6-10-21(11-7-17)27-23(28)15-31-24(27)18-4-3-5-20(14-18)26-32(29,30)22-12-8-19(25)9-13-22/h3-14,16,24,26H,15H2,1-2H3
InChIKeyROEYCHJWFPHVLI-UHFFFAOYSA-N
XLogP6.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.05
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide with MolForge

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Related Compounds

4-tert-butyl-N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125107
4-methyl-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125424
4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42807226
4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93124849
2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 11842587
4-bromo-N-[3-[(2S)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125409
4-tert-butyl-N-[3-[(2S)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125415
4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125092
4-bromo-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125090
N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide
CID 42804732
N-[3-(1,3-dithiolan-2-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 27658350
4-bromo-N-[3-[3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804404

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide (CID 42804460) is 4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide is CC(C)c1ccc(N2C(=O)CSC2c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The InChIKey is ROEYCHJWFPHVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3S2/c1-16(2)17-6-10-21(11-7-17)27-23(28)15-31-24(27)18-4-3-5-20(14-18)26-32(29,30)22-12-8-19(25)9-13-22/h3-14,16,24,26H,15H2,1-2H3.
What are the key properties of 4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide has a molecular weight of 487.05 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 42804460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).