[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate

C30H22ClF3N2O8S — CID 67430056

About [5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate

[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate (PubChem CID 67430056) has the molecular formula C30H22ClF3N2O8S and a molecular weight of 663.03 g/mol. Its IUPAC name is [5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate.

Molecular Properties

• Compound Name: [5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate
• PubChem CID: 67430056
• Molecular Formula: C30H22ClF3N2O8S
• Molecular Weight: 663.03 g/mol
• Exact Mass: 662.07
• IUPAC Name: [5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate
• SMILES: COc1ccc(S(=O)(=O)N2C(=O)C(OC(N)=O)(c3ccccc3OC)c3c2ccc(Cl)c3-c2ccccc2)c(OC(F)(F)F)c1
• InChI: InChI=1S/C30H22ClF3N2O8S/c1-41-18-12-15-24(23(16-18)43-30(32,33)34)45(39,40)36-21-14-13-20(31)25(17-8-4-3-5-9-17)26(21)29(27(36)37,44-28(35)38)19-10-6-7-11-22(19)42-2/h3-16H,1-2H3,(H2,35,38)
• InChIKey: HGQNSGJCWPHOOU-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 134.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.03
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate?

The IUPAC name of [5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate (CID 67430056) is [5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate.

What is the SMILES notation for [5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate?

The canonical SMILES for [5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate is COc1ccc(S(=O)(=O)N2C(=O)C(OC(N)=O)(c3ccccc3OC)c3c2ccc(Cl)c3-c2ccccc2)c(OC(F)(F)F)c1.

What is the InChIKey of [5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate?

The InChIKey is HGQNSGJCWPHOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClF3N2O8S/c1-41-18-12-15-24(23(16-18)43-30(32,33)34)45(39,40)36-21-14-13-20(31)25(17-8-4-3-5-9-17)26(21)29(27(36)37,44-28(35)38)19-10-6-7-11-22(19)42-2/h3-16H,1-2H3,(H2,35,38).

What are the key properties of [5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate?

[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate has a molecular weight of 663.03 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate is sourced from PubChem (CID 67430056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).