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

C25H19Cl2N3O4S2 — CID 10674405

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

4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide (PubChem CID 10674405) has the molecular formula C25H19Cl2N3O4S2 and a molecular weight of 560.48 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
• PubChem CID: 10674405
• Molecular Formula: C25H19Cl2N3O4S2
• Molecular Weight: 560.48 g/mol
• Exact Mass: 559.02
• IUPAC Name: 4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
• SMILES: COc1ccccc1C1C(Cl)C(=O)N1c1nc(-c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cs1
• InChI: InChI=1S/C25H19Cl2N3O4S2/c1-34-21-9-5-3-7-18(21)23-22(27)24(31)30(23)25-28-20(14-35-25)17-6-2-4-8-19(17)29-36(32,33)16-12-10-15(26)11-13-16/h2-14,22-23,29H,1H3
• InChIKey: LZMLSQNJKWAIMQ-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.48
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?

The IUPAC name of 4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide (CID 10674405) is 4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide is COc1ccccc1C1C(Cl)C(=O)N1c1nc(-c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cs1.

What is the InChIKey of 4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?

The InChIKey is LZMLSQNJKWAIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N3O4S2/c1-34-21-9-5-3-7-18(21)23-22(27)24(31)30(23)25-28-20(14-35-25)17-6-2-4-8-19(17)29-36(32,33)16-12-10-15(26)11-13-16/h2-14,22-23,29H,1H3.

What are the key properties of 4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?

4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide has a molecular weight of 560.48 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 10674405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).