N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide

C24H21BrCl2N2O3S — CID 133179804

About N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide

N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide (PubChem CID 133179804) has the molecular formula C24H21BrCl2N2O3S and a molecular weight of 568.32 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide
• PubChem CID: 133179804
• Molecular Formula: C24H21BrCl2N2O3S
• Molecular Weight: 568.32 g/mol
• Exact Mass: 565.98
• IUPAC Name: N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide
• SMILES: CC1Cc2cc(Br)ccc2N1C(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H21BrCl2N2O3S/c1-16-12-18-13-19(25)4-11-23(18)29(16)24(30)15-28(14-17-2-5-20(26)6-3-17)33(31,32)22-9-7-21(27)8-10-22/h2-11,13,16H,12,14-15H2,1H3
• InChIKey: VETBVVOKAYJPHZ-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 57.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.32
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide?

The IUPAC name of N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide (CID 133179804) is N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide.

What is the SMILES notation for N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide?

The canonical SMILES for N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide is CC1Cc2cc(Br)ccc2N1C(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1.

What is the InChIKey of N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide?

The InChIKey is VETBVVOKAYJPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrCl2N2O3S/c1-16-12-18-13-19(25)4-11-23(18)29(16)24(30)15-28(14-17-2-5-20(26)6-3-17)33(31,32)22-9-7-21(27)8-10-22/h2-11,13,16H,12,14-15H2,1H3.

What are the key properties of N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide?

N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide has a molecular weight of 568.32 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 133179804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).