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

C24H21Cl3N2O3S — CID 100793407

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

4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 100793407) has the molecular formula C24H21Cl3N2O3S and a molecular weight of 523.87 g/mol. Its IUPAC name is 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
• PubChem CID: 100793407
• Molecular Formula: C24H21Cl3N2O3S
• Molecular Weight: 523.87 g/mol
• Exact Mass: 522.03
• IUPAC Name: 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
• SMILES: C[C@@H]1Cc2ccccc2N1C(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H21Cl3N2O3S/c1-16-12-17-4-2-3-5-23(17)29(16)24(30)15-28(14-18-6-7-20(26)13-22(18)27)33(31,32)21-10-8-19(25)9-11-21/h2-11,13,16H,12,14-15H2,1H3/t16-/m1/s1
• InChIKey: SXZANPDSODPCMM-MRXNPFEDSA-N
• XLogP: 5.82
• 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	523.87
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (CID 100793407) is 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.

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

The canonical SMILES for 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is C[C@@H]1Cc2ccccc2N1C(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1.

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

The InChIKey is SXZANPDSODPCMM-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H21Cl3N2O3S/c1-16-12-17-4-2-3-5-23(17)29(16)24(30)15-28(14-18-6-7-20(26)13-22(18)27)33(31,32)21-10-8-19(25)9-11-21/h2-11,13,16H,12,14-15H2,1H3/t16-/m1/s1.

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

4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 523.87 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 100793407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).