4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C23H20N4O6S2 — CID 41004356

About 4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 41004356) has the molecular formula C23H20N4O6S2 and a molecular weight of 512.57 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 41004356
• Molecular Formula: C23H20N4O6S2
• Molecular Weight: 512.57 g/mol
• Exact Mass: 512.08
• IUPAC Name: 4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(-c4cccc(S(C)(=O)=O)c4)o3)cc2)cc1
• InChI: InChI=1S/C23H20N4O6S2/c1-15-6-12-19(13-7-15)35(31,32)27-18-10-8-16(9-11-18)21(28)24-23-26-25-22(33-23)17-4-3-5-20(14-17)34(2,29)30/h3-14,27H,1-2H3,(H,24,26,28)
• InChIKey: ZEJOLRGEMXQGSI-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 148.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.57
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 41004356) is 4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(-c4cccc(S(C)(=O)=O)c4)o3)cc2)cc1.

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

The InChIKey is ZEJOLRGEMXQGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O6S2/c1-15-6-12-19(13-7-15)35(31,32)27-18-10-8-16(9-11-18)21(28)24-23-26-25-22(33-23)17-4-3-5-20(14-17)34(2,29)30/h3-14,27H,1-2H3,(H,24,26,28).

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

4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 512.57 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 41004356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).