2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide

C24H22Cl2N2O4S — CID 28555911

About 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide

2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 28555911) has the molecular formula C24H22Cl2N2O4S and a molecular weight of 505.42 g/mol. Its IUPAC name is 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
• PubChem CID: 28555911
• Molecular Formula: C24H22Cl2N2O4S
• Molecular Weight: 505.42 g/mol
• Exact Mass: 504.07
• IUPAC Name: 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
• SMILES: C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H22Cl2N2O4S/c1-16(17-6-8-19(25)9-7-17)27-24(29)15-32-23-11-10-20(14-21(23)26)33(30,31)28-13-12-18-4-2-3-5-22(18)28/h2-11,14,16H,12-13,15H2,1H3,(H,27,29)/t16-/m1/s1
• InChIKey: CVTBHHKOTGFQEC-MRXNPFEDSA-N
• XLogP: 5.00
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.42
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide?

The IUPAC name of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide (CID 28555911) is 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide.

What is the SMILES notation for 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide?

The canonical SMILES for 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide is C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)c1ccc(Cl)cc1.

What is the InChIKey of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide?

The InChIKey is CVTBHHKOTGFQEC-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22Cl2N2O4S/c1-16(17-6-8-19(25)9-7-17)27-24(29)15-32-23-11-10-20(14-21(23)26)33(30,31)28-13-12-18-4-2-3-5-22(18)28/h2-11,14,16H,12-13,15H2,1H3,(H,27,29)/t16-/m1/s1.

What are the key properties of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide?

2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 505.42 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 28555911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).