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

C24H22BrClN2O3S — CID 100794643

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

4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 100794643) has the molecular formula C24H22BrClN2O3S and a molecular weight of 533.88 g/mol. Its IUPAC name is 4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
• PubChem CID: 100794643
• Molecular Formula: C24H22BrClN2O3S
• Molecular Weight: 533.88 g/mol
• Exact Mass: 532.02
• IUPAC Name: 4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
• SMILES: C[C@@H]1Cc2ccccc2N1C(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1
• InChI: InChI=1S/C24H22BrClN2O3S/c1-17-14-18-6-3-5-9-23(18)28(17)24(29)16-27(15-19-7-2-4-8-22(19)26)32(30,31)21-12-10-20(25)11-13-21/h2-13,17H,14-16H2,1H3/t17-/m1/s1
• InChIKey: HBQPXWGJEFFTJG-QGZVFWFLSA-N
• XLogP: 5.27
• TPSA: 57.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.88
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (CID 100794643) is 4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.

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

The canonical SMILES for 4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is C[C@@H]1Cc2ccccc2N1C(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1.

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

The InChIKey is HBQPXWGJEFFTJG-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22BrClN2O3S/c1-17-14-18-6-3-5-9-23(18)28(17)24(29)16-27(15-19-7-2-4-8-22(19)26)32(30,31)21-12-10-20(25)11-13-21/h2-13,17H,14-16H2,1H3/t17-/m1/s1.

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

4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 533.88 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 100794643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).