5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C23H18BrN3O3S2 — CID 70789526

About 5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 70789526) has the molecular formula C23H18BrN3O3S2 and a molecular weight of 528.45 g/mol. Its IUPAC name is 5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 70789526
• Molecular Formula: C23H18BrN3O3S2
• Molecular Weight: 528.45 g/mol
• Exact Mass: 527.00
• IUPAC Name: 5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
• SMILES: Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1
• InChI: InChI=1S/C23H18BrN3O3S2/c1-15-7-10-18(11-8-15)32(29,30)27-20-12-9-17(24)13-19(20)22(28)26-23-25-21(14-31-23)16-5-3-2-4-6-16/h2-14,27H,1H3,(H,25,26,28)
• InChIKey: PKGPBZMPDJXZJX-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 88.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.45
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?

The IUPAC name of 5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 70789526) is 5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for 5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?

The canonical SMILES for 5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1.

What is the InChIKey of 5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?

The InChIKey is PKGPBZMPDJXZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O3S2/c1-15-7-10-18(11-8-15)32(29,30)27-20-12-9-17(24)13-19(20)22(28)26-23-25-21(14-31-23)16-5-3-2-4-6-16/h2-14,27H,1H3,(H,25,26,28).

What are the key properties of 5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?

5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 528.45 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 70789526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).