2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C20H19Cl3N2O4S — CID 146667513

IUPAC2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cc(Cl)cc(C2CCOC2)c1)c1cc(N2CCCS2(=O)=O)cc(Cl)c1Cl
InChIInChI=1S/C20H19Cl3N2O4S/c21-14-6-13(12-2-4-29-11-12)7-15(8-14)24-20(26)17-9-16(10-18(22)19(17)23)25-3-1-5-30(25,27)28/h6-10,12H,1-5,11H2,(H,24,26)
InChIKeyVQWICVHIEZYSCN-UHFFFAOYSA-N
MW489.81 g/mol
LogP4.94
Rot. Bonds4

About 2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146667513) has the molecular formula C20H19Cl3N2O4S and a molecular weight of 489.81 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID146667513
Molecular FormulaC20H19Cl3N2O4S
Molecular Weight489.81 g/mol
Exact Mass488.01
IUPAC Name2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cc(Cl)cc(C2CCOC2)c1)c1cc(N2CCCS2(=O)=O)cc(Cl)c1Cl
InChIInChI=1S/C20H19Cl3N2O4S/c21-14-6-13(12-2-4-29-11-12)7-15(8-14)24-20(26)17-9-16(10-18(22)19(17)23)25-3-1-5-30(25,27)28/h6-10,12H,1-5,11H2,(H,24,26)
InChIKeyVQWICVHIEZYSCN-UHFFFAOYSA-N
XLogP4.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.81
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[3-chloro-5-[(3S)-oxolan-3-yl]phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668423
2-chloro-N-[3-cyano-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide
CID 146668405
2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667596
2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628312
2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628114
2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667471
2-chloro-N-(3-chloro-5-methoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbenzamide
CID 146668607
2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667641
2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 146668842
N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668453
2-bromo-N-(3-chloro-5-methylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668889
2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
CID 146628430

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 146667513) is 2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1cc(Cl)cc(C2CCOC2)c1)c1cc(N2CCCS2(=O)=O)cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is VQWICVHIEZYSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N2O4S/c21-14-6-13(12-2-4-29-11-12)7-15(8-14)24-20(26)17-9-16(10-18(22)19(17)23)25-3-1-5-30(25,27)28/h6-10,12H,1-5,11H2,(H,24,26).
What are the key properties of 2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 489.81 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146667513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).