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

C23H20N4O7S2 — CID 43977232

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

4-[(4-methoxyphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43977232) has the molecular formula C23H20N4O7S2 and a molecular weight of 528.57 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(4-methoxyphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 43977232
• Molecular Formula: C23H20N4O7S2
• Molecular Weight: 528.57 g/mol
• Exact Mass: 528.08
• IUPAC Name: 4-[(4-methoxyphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(-c4cccc(S(C)(=O)=O)c4)o3)cc2)cc1
• InChI: InChI=1S/C23H20N4O7S2/c1-33-18-10-12-19(13-11-18)36(31,32)27-17-8-6-15(7-9-17)21(28)24-23-26-25-22(34-23)16-4-3-5-20(14-16)35(2,29)30/h3-14,27H,1-2H3,(H,24,26,28)
• InChIKey: KXVXHYSJIPSUAW-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 157.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.57
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43977232) is 4-[(4-methoxyphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 4-[(4-methoxyphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(-c4cccc(S(C)(=O)=O)c4)o3)cc2)cc1.

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

The InChIKey is KXVXHYSJIPSUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O7S2/c1-33-18-10-12-19(13-11-18)36(31,32)27-17-8-6-15(7-9-17)21(28)24-23-26-25-22(34-23)16-4-3-5-20(14-16)35(2,29)30/h3-14,27H,1-2H3,(H,24,26,28).

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

4-[(4-methoxyphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 528.57 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-methoxyphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43977232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).