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

C22H19ClN2O4S2 — CID 42807226

IUPAC4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
SMILESCOc1cccc(N2C(=O)CSC2c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C22H19ClN2O4S2/c1-29-19-7-3-6-18(13-19)25-21(26)14-30-22(25)15-4-2-5-17(12-15)24-31(27,28)20-10-8-16(23)9-11-20/h2-13,22,24H,14H2,1H3
InChIKeyZRRYJYIKNUDMDB-UHFFFAOYSA-N
MW474.99 g/mol
LogP4.93
Rot. Bonds6

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

4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide (PubChem CID 42807226) has the molecular formula C22H19ClN2O4S2 and a molecular weight of 474.99 g/mol. Its IUPAC name is 4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
PubChem CID42807226
Molecular FormulaC22H19ClN2O4S2
Molecular Weight474.99 g/mol
Exact Mass474.05
IUPAC Name4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
SMILESCOc1cccc(N2C(=O)CSC2c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C22H19ClN2O4S2/c1-29-19-7-3-6-18(13-19)25-21(26)14-30-22(25)15-4-2-5-17(12-15)24-31(27,28)20-10-8-16(23)9-11-20/h2-13,22,24H,14H2,1H3
InChIKeyZRRYJYIKNUDMDB-UHFFFAOYSA-N
XLogP4.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804460
4-methyl-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125424
4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93124849
4-bromo-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125090
4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125092
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-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
4-tert-butyl-N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125107
4-methoxy-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804735
4-methoxy-N-[3-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127088
4-chloro-N-[3-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125852

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide (CID 42807226) is 4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide is COc1cccc(N2C(=O)CSC2c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The InChIKey is ZRRYJYIKNUDMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4S2/c1-29-19-7-3-6-18(13-19)25-21(26)14-30-22(25)15-4-2-5-17(12-15)24-31(27,28)20-10-8-16(23)9-11-20/h2-13,22,24H,14H2,1H3.
What are the key properties of 4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide has a molecular weight of 474.99 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 42807226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).