2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol

C32H28Cl4N2O7S2 — CID 146619434

About 2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol

2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol (PubChem CID 146619434) has the molecular formula C32H28Cl4N2O7S2 and a molecular weight of 758.53 g/mol. Its IUPAC name is 2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol.

Molecular Properties

• Compound Name: 2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol
• PubChem CID: 146619434
• Molecular Formula: C32H28Cl4N2O7S2
• Molecular Weight: 758.53 g/mol
• Exact Mass: 756.01
• IUPAC Name: 2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol
• SMILES: COc1ccc2c(c1)C(C1CC(Cc3ccccc3)CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1O)CN2S(=O)(=O)c1cc(Cl)cc(Cl)c1O
• InChI: InChI=1S/C32H28Cl4N2O7S2/c1-45-22-7-8-27-23(15-22)24(17-38(27)47(43,44)30-14-21(34)12-26(36)32(30)40)28-10-19(9-18-5-3-2-4-6-18)16-37(28)46(41,42)29-13-20(33)11-25(35)31(29)39/h2-8,11-15,19,24,28,39-40H,9-10,16-17H2,1H3
• InChIKey: LOGJWOJAJMANGE-UHFFFAOYSA-N
• XLogP: 7.33
• TPSA: 124.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.53
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol?

The IUPAC name of 2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol (CID 146619434) is 2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol.

What is the SMILES notation for 2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol?

The canonical SMILES for 2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol is COc1ccc2c(c1)C(C1CC(Cc3ccccc3)CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1O)CN2S(=O)(=O)c1cc(Cl)cc(Cl)c1O.

What is the InChIKey of 2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol?

The InChIKey is LOGJWOJAJMANGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Cl4N2O7S2/c1-45-22-7-8-27-23(15-22)24(17-38(27)47(43,44)30-14-21(34)12-26(36)32(30)40)28-10-19(9-18-5-3-2-4-6-18)16-37(28)46(41,42)29-13-20(33)11-25(35)31(29)39/h2-8,11-15,19,24,28,39-40H,9-10,16-17H2,1H3.

What are the key properties of 2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol?

2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol has a molecular weight of 758.53 g/mol, XLogP of 7.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-benzyl-2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]pyrrolidin-1-yl]sulfonyl-4,6-dichlorophenol is sourced from PubChem (CID 146619434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).