1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C24H23Cl2N3O5S2 — CID 43893462

About 1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 43893462) has the molecular formula C24H23Cl2N3O5S2 and a molecular weight of 568.50 g/mol. Its IUPAC name is 1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

• Compound Name: 1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
• PubChem CID: 43893462
• Molecular Formula: C24H23Cl2N3O5S2
• Molecular Weight: 568.50 g/mol
• Exact Mass: 567.05
• IUPAC Name: 1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
• SMILES: CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C24H23Cl2N3O5S2/c1-27(2)35(31,32)19-11-12-21-17(15-19)13-14-28(21)23(30)16-29(22-10-6-9-20(25)24(22)26)36(33,34)18-7-4-3-5-8-18/h3-12,15H,13-14,16H2,1-2H3
• InChIKey: XIVCTZPFXJZVCJ-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 95.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.50
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?

The IUPAC name of 1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 43893462) is 1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

What is the SMILES notation for 1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?

The canonical SMILES for 1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1.

What is the InChIKey of 1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?

The InChIKey is XIVCTZPFXJZVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O5S2/c1-27(2)35(31,32)19-11-12-21-17(15-19)13-14-28(21)23(30)16-29(22-10-6-9-20(25)24(22)26)36(33,34)18-7-4-3-5-8-18/h3-12,15H,13-14,16H2,1-2H3.

What are the key properties of 1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?

1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 568.50 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 43893462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).