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

C20H19Cl3N2O4S — CID 146668423

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

2,3-dichloro-N-[3-chloro-5-[(3S)-oxolan-3-yl]phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146668423) 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-[(3S)-oxolan-3-yl]phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: 2,3-dichloro-N-[3-chloro-5-[(3S)-oxolan-3-yl]phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• PubChem CID: 146668423
• Molecular Formula: C20H19Cl3N2O4S
• Molecular Weight: 489.81 g/mol
• Exact Mass: 488.01
• IUPAC Name: 2,3-dichloro-N-[3-chloro-5-[(3S)-oxolan-3-yl]phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• SMILES: O=C(Nc1cc(Cl)cc([C@@H]2CCOC2)c1)c1cc(N2CCCS2(=O)=O)cc(Cl)c1Cl
• InChI: 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)/t12-/m1/s1
• InChIKey: VQWICVHIEZYSCN-GFCCVEGCSA-N
• XLogP: 4.94
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.81
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-chloro-5-[(3S)-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-[(3S)-oxolan-3-yl]phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 146668423) is 2,3-dichloro-N-[3-chloro-5-[(3S)-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-[(3S)-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-[(3S)-oxolan-3-yl]phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1cc(Cl)cc([C@@H]2CCOC2)c1)c1cc(N2CCCS2(=O)=O)cc(Cl)c1Cl.

What is the InChIKey of 2,3-dichloro-N-[3-chloro-5-[(3S)-oxolan-3-yl]phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The InChIKey is VQWICVHIEZYSCN-GFCCVEGCSA-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)/t12-/m1/s1.

What are the key properties of 2,3-dichloro-N-[3-chloro-5-[(3S)-oxolan-3-yl]phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

2,3-dichloro-N-[3-chloro-5-[(3S)-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-[(3S)-oxolan-3-yl]phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146668423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).