2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide

C29H26ClN3O5S2 — CID 100787371

About 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide

2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide (PubChem CID 100787371) has the molecular formula C29H26ClN3O5S2 and a molecular weight of 596.13 g/mol. Its IUPAC name is 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide
• PubChem CID: 100787371
• Molecular Formula: C29H26ClN3O5S2
• Molecular Weight: 596.13 g/mol
• Exact Mass: 595.10
• IUPAC Name: 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide
• SMILES: CN(c1ccc(CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C29H26ClN3O5S2/c1-32(39(35,36)26-5-3-2-4-6-26)25-13-7-21(8-14-25)19-29(34)31-24-12-9-22-17-18-33(28(22)20-24)40(37,38)27-15-10-23(30)11-16-27/h2-16,20H,17-19H2,1H3,(H,31,34)
• InChIKey: INAVHMHDKTWFBT-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 103.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.13
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide (CID 100787371) is 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide.

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

The canonical SMILES for 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide is CN(c1ccc(CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1)S(=O)(=O)c1ccccc1.

What is the InChIKey of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide?

The InChIKey is INAVHMHDKTWFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN3O5S2/c1-32(39(35,36)26-5-3-2-4-6-26)25-13-7-21(8-14-25)19-29(34)31-24-12-9-22-17-18-33(28(22)20-24)40(37,38)27-15-10-23(30)11-16-27/h2-16,20H,17-19H2,1H3,(H,31,34).

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

2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide has a molecular weight of 596.13 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide is sourced from PubChem (CID 100787371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).