(2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide

C24H23BrN2O3S — CID 100801400

About (2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide

(2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 100801400) has the molecular formula C24H23BrN2O3S and a molecular weight of 499.43 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide
• PubChem CID: 100801400
• Molecular Formula: C24H23BrN2O3S
• Molecular Weight: 499.43 g/mol
• Exact Mass: 498.06
• IUPAC Name: (2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide
• SMILES: Cc1cc(Br)cc(C)c1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C24H23BrN2O3S/c1-15-11-20(25)12-16(2)23(15)26-24(28)18-9-10-22-19(14-18)13-17(3)27(22)31(29,30)21-7-5-4-6-8-21/h4-12,14,17H,13H2,1-3H3,(H,26,28)/t17-/m0/s1
• InChIKey: HBZDLPRMCBXILP-KRWDZBQOSA-N
• XLogP: 5.46
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.43
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide?

The IUPAC name of (2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide (CID 100801400) is (2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide.

What is the SMILES notation for (2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide?

The canonical SMILES for (2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide is Cc1cc(Br)cc(C)c1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1.

What is the InChIKey of (2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide?

The InChIKey is HBZDLPRMCBXILP-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23BrN2O3S/c1-15-11-20(25)12-16(2)23(15)26-24(28)18-9-10-22-19(14-18)13-17(3)27(22)31(29,30)21-7-5-4-6-8-21/h4-12,14,17H,13H2,1-3H3,(H,26,28)/t17-/m0/s1.

What are the key properties of (2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide?

(2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 499.43 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 100801400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).