(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide

C24H22ClFN2O3S — CID 30464119

About (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide

(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 30464119) has the molecular formula C24H22ClFN2O3S and a molecular weight of 472.97 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide
• PubChem CID: 30464119
• Molecular Formula: C24H22ClFN2O3S
• Molecular Weight: 472.97 g/mol
• Exact Mass: 472.10
• IUPAC Name: (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide
• SMILES: C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
• InChI: InChI=1S/C24H22ClFN2O3S/c1-15-13-19-14-18(24(29)27-16(2)17-3-8-21(26)9-4-17)5-12-23(19)28(15)32(30,31)22-10-6-20(25)7-11-22/h3-12,14-16H,13H2,1-2H3,(H,27,29)/t15-,16+/m0/s1
• InChIKey: OTGJAQMHCASRPG-JKSUJKDBSA-N
• XLogP: 5.11
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.97
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide?

The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide (CID 30464119) is (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide.

What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide?

The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide is C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.

What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide?

The InChIKey is OTGJAQMHCASRPG-JKSUJKDBSA-N. The full InChI is InChI=1S/C24H22ClFN2O3S/c1-15-13-19-14-18(24(29)27-16(2)17-3-8-21(26)9-4-17)5-12-23(19)28(15)32(30,31)22-10-6-20(25)7-11-22/h3-12,14-16H,13H2,1-2H3,(H,27,29)/t15-,16+/m0/s1.

What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide?

(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 472.97 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 30464119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).