(2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide

C30H30ClF2N3O7S — CID 11479298

About (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide

(2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 11479298) has the molecular formula C30H30ClF2N3O7S and a molecular weight of 650.10 g/mol. Its IUPAC name is (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide
• PubChem CID: 11479298
• Molecular Formula: C30H30ClF2N3O7S
• Molecular Weight: 650.10 g/mol
• Exact Mass: 649.15
• IUPAC Name: (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3CC(F)(F)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1
• InChI: InChI=1S/C30H30ClF2N3O7S/c1-34(2)27(37)23-16-29(32,33)17-35(23)30(20-8-6-7-9-24(20)42-4)21-14-18(31)10-12-22(21)36(28(30)38)44(39,40)26-13-11-19(41-3)15-25(26)43-5/h6-15,23H,16-17H2,1-5H3/t23-,30?/m0/s1
• InChIKey: ZUZKOWDDJLUNNB-IHOKFDBFSA-N
• XLogP: 4.14
• TPSA: 105.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	650.10
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide (CID 11479298) is (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3CC(F)(F)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1.

What is the InChIKey of (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide?

The InChIKey is ZUZKOWDDJLUNNB-IHOKFDBFSA-N. The full InChI is InChI=1S/C30H30ClF2N3O7S/c1-34(2)27(37)23-16-29(32,33)17-35(23)30(20-8-6-7-9-24(20)42-4)21-14-18(31)10-12-22(21)36(28(30)38)44(39,40)26-13-11-19(41-3)15-25(26)43-5/h6-15,23H,16-17H2,1-5H3/t23-,30?/m0/s1.

What are the key properties of (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide?

(2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 650.10 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4,4-difluoro-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 11479298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).