N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide

C24H24ClN3O6S2 — CID 100794243

About N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide

N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 100794243) has the molecular formula C24H24ClN3O6S2 and a molecular weight of 550.06 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

• Compound Name: N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
• PubChem CID: 100794243
• Molecular Formula: C24H24ClN3O6S2
• Molecular Weight: 550.06 g/mol
• Exact Mass: 549.08
• IUPAC Name: N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
• SMILES: COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1
• InChI: InChI=1S/C24H24ClN3O6S2/c1-27(35(30,31)21-11-7-20(34-2)8-12-21)16-24(29)26-19-6-3-17-13-14-28(23(17)15-19)36(32,33)22-9-4-18(25)5-10-22/h3-12,15H,13-14,16H2,1-2H3,(H,26,29)
• InChIKey: OMXOCXOMBBOGPI-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 113.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.06
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?

The IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (CID 100794243) is N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.

What is the SMILES notation for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?

The canonical SMILES for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1.

What is the InChIKey of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?

The InChIKey is OMXOCXOMBBOGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O6S2/c1-27(35(30,31)21-11-7-20(34-2)8-12-21)16-24(29)26-19-6-3-17-13-14-28(23(17)15-19)36(32,33)22-9-4-18(25)5-10-22/h3-12,15H,13-14,16H2,1-2H3,(H,26,29).

What are the key properties of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?

N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 550.06 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 100794243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).