N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide

C22H15Cl2N3O6S — CID 18971370

About N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide

N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide (PubChem CID 18971370) has the molecular formula C22H15Cl2N3O6S and a molecular weight of 520.35 g/mol. Its IUPAC name is N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide
• PubChem CID: 18971370
• Molecular Formula: C22H15Cl2N3O6S
• Molecular Weight: 520.35 g/mol
• Exact Mass: 519.01
• IUPAC Name: N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide
• SMILES: CC(=O)N(c1cccc(O)c1)n1c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc21
• InChI: InChI=1S/C22H15Cl2N3O6S/c1-13(28)25(16-3-2-4-17(29)12-16)26-20-11-15(24)7-10-19(20)21(30)27(22(26)31)34(32,33)18-8-5-14(23)6-9-18/h2-12,29H,1H3
• InChIKey: CBIBWQVHKNBBSK-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 118.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.35
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide?

The IUPAC name of N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide (CID 18971370) is N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide.

What is the SMILES notation for N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide?

The canonical SMILES for N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide is CC(=O)N(c1cccc(O)c1)n1c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc21.

What is the InChIKey of N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide?

The InChIKey is CBIBWQVHKNBBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O6S/c1-13(28)25(16-3-2-4-17(29)12-16)26-20-11-15(24)7-10-19(20)21(30)27(22(26)31)34(32,33)18-8-5-14(23)6-9-18/h2-12,29H,1H3.

What are the key properties of N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide?

N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide has a molecular weight of 520.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 18971370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).