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

C30H27Cl2N3O5S2 — CID 100793868

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

N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide (PubChem CID 100793868) has the molecular formula C30H27Cl2N3O5S2 and a molecular weight of 644.60 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
• PubChem CID: 100793868
• Molecular Formula: C30H27Cl2N3O5S2
• Molecular Weight: 644.60 g/mol
• Exact Mass: 643.08
• IUPAC Name: N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
• SMILES: Cc1ccccc1CN(CC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)S(=O)(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C30H27Cl2N3O5S2/c1-21-4-2-3-5-23(21)19-34(41(37,38)27-12-7-24(31)8-13-27)20-30(36)33-26-11-6-22-16-17-35(29(22)18-26)42(39,40)28-14-9-25(32)10-15-28/h2-15,18H,16-17,19-20H2,1H3,(H,33,36)
• InChIKey: WKGRUYHFQNQOPS-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 103.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.60
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide (CID 100793868) is N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide.

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

The canonical SMILES for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide is Cc1ccccc1CN(CC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)S(=O)(=O)c1ccc(Cl)cc1.

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

The InChIKey is WKGRUYHFQNQOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2N3O5S2/c1-21-4-2-3-5-23(21)19-34(41(37,38)27-12-7-24(31)8-13-27)20-30(36)33-26-11-6-22-16-17-35(29(22)18-26)42(39,40)28-14-9-25(32)10-15-28/h2-15,18H,16-17,19-20H2,1H3,(H,33,36).

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

N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide has a molecular weight of 644.60 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 100793868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).