N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide

C25H24ClN3O4S — CID 78524923

About N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide

N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide (PubChem CID 78524923) has the molecular formula C25H24ClN3O4S and a molecular weight of 498.00 g/mol. Its IUPAC name is N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide
• PubChem CID: 78524923
• Molecular Formula: C25H24ClN3O4S
• Molecular Weight: 498.00 g/mol
• Exact Mass: 497.12
• IUPAC Name: N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2ccc(=O)n3c2C2CC(CN(S(=O)(=O)c4ccc(Cl)cc4)C2)C3)cc1
• InChI: InChI=1S/C25H24ClN3O4S/c1-16(30)27-21-6-2-18(3-7-21)23-10-11-24(31)29-14-17-12-19(25(23)29)15-28(13-17)34(32,33)22-8-4-20(26)5-9-22/h2-11,17,19H,12-15H2,1H3,(H,27,30)
• InChIKey: GZUJTWDRQXKCNU-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 88.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.00
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide?

The IUPAC name of N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide (CID 78524923) is N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide.

What is the SMILES notation for N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide?

The canonical SMILES for N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(=O)n3c2C2CC(CN(S(=O)(=O)c4ccc(Cl)cc4)C2)C3)cc1.

What is the InChIKey of N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide?

The InChIKey is GZUJTWDRQXKCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4S/c1-16(30)27-21-6-2-18(3-7-21)23-10-11-24(31)29-14-17-12-19(25(23)29)15-28(13-17)34(32,33)22-8-4-20(26)5-9-22/h2-11,17,19H,12-15H2,1H3,(H,27,30).

What are the key properties of N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide?

N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide has a molecular weight of 498.00 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[11-(4-chlorophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide is sourced from PubChem (CID 78524923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).