N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide

C23H17N3O5S3 — CID 19258689

About N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 19258689) has the molecular formula C23H17N3O5S3 and a molecular weight of 511.61 g/mol. Its IUPAC name is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
• PubChem CID: 19258689
• Molecular Formula: C23H17N3O5S3
• Molecular Weight: 511.61 g/mol
• Exact Mass: 511.03
• IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
• SMILES: CS(=O)(=O)c1ccc2nc(NS(=O)(=O)c3ccc(-c4ncc(-c5ccccc5)o4)cc3)sc2c1
• InChI: InChI=1S/C23H17N3O5S3/c1-33(27,28)18-11-12-19-21(13-18)32-23(25-19)26-34(29,30)17-9-7-16(8-10-17)22-24-14-20(31-22)15-5-3-2-4-6-15/h2-14H,1H3,(H,25,26)
• InChIKey: XKTWAVMWYGYQAY-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 119.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.61
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?

The IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide (CID 19258689) is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide.

What is the SMILES notation for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?

The canonical SMILES for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide is CS(=O)(=O)c1ccc2nc(NS(=O)(=O)c3ccc(-c4ncc(-c5ccccc5)o4)cc3)sc2c1.

What is the InChIKey of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?

The InChIKey is XKTWAVMWYGYQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O5S3/c1-33(27,28)18-11-12-19-21(13-18)32-23(25-19)26-34(29,30)17-9-7-16(8-10-17)22-24-14-20(31-22)15-5-3-2-4-6-15/h2-14H,1H3,(H,25,26).

What are the key properties of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 511.61 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 19258689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).