4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C27H24ClN3O8S2 — CID 4097318

About 4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 4097318) has the molecular formula C27H24ClN3O8S2 and a molecular weight of 618.09 g/mol. Its IUPAC name is 4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
• PubChem CID: 4097318
• Molecular Formula: C27H24ClN3O8S2
• Molecular Weight: 618.09 g/mol
• Exact Mass: 617.07
• IUPAC Name: 4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
• SMILES: COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3OC)c2)c1
• InChI: InChI=1S/C27H24ClN3O8S2/c1-38-24-9-5-3-7-20(24)30-40(34,35)18-12-14-23(32)22(16-18)29-27(33)17-11-13-19(28)26(15-17)41(36,37)31-21-8-4-6-10-25(21)39-2/h3-16,30-32H,1-2H3,(H,29,33)
• InChIKey: QEEXNXXNCZHCGZ-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 160.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	618.09
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?

The IUPAC name of 4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 4097318) is 4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

What is the SMILES notation for 4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?

The canonical SMILES for 4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3OC)c2)c1.

What is the InChIKey of 4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?

The InChIKey is QEEXNXXNCZHCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O8S2/c1-38-24-9-5-3-7-20(24)30-40(34,35)18-12-14-23(32)22(16-18)29-27(33)17-11-13-19(28)26(15-17)41(36,37)31-21-8-4-6-10-25(21)39-2/h3-16,30-32H,1-2H3,(H,29,33).

What are the key properties of 4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?

4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 618.09 g/mol, XLogP of 4.92, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4097318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).