(2S,4R)-1-[5-chloro-1-(4-methoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide

C28H28ClFN4O6S — CID 67043612

About (2S,4R)-1-[5-chloro-1-(4-methoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide

(2S,4R)-1-[5-chloro-1-(4-methoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 67043612) has the molecular formula C28H28ClFN4O6S and a molecular weight of 603.07 g/mol. Its IUPAC name is (2S,4R)-1-[5-chloro-1-(4-methoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-1-[5-chloro-1-(4-methoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide
• PubChem CID: 67043612
• Molecular Formula: C28H28ClFN4O6S
• Molecular Weight: 603.07 g/mol
• Exact Mass: 602.14
• IUPAC Name: (2S,4R)-1-[5-chloro-1-(4-methoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3C[C@H](F)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1
• InChI: InChI=1S/C28H28ClFN4O6S/c1-32(2)26(35)24-15-18(30)16-33(24)28(21-6-5-13-31-25(21)40-4)22-14-17(29)7-12-23(22)34(27(28)36)41(37,38)20-10-8-19(39-3)9-11-20/h5-14,18,24H,15-16H2,1-4H3/t18-,24+,28?/m1/s1
• InChIKey: VRNJHQNFMXNYAN-SEFVTTAQSA-N
• XLogP: 3.23
• TPSA: 109.35 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.07
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2S,4R)-1-[5-chloro-1-(4-methoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide (CID 67043612) is (2S,4R)-1-[5-chloro-1-(4-methoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide.

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

The canonical SMILES for (2S,4R)-1-[5-chloro-1-(4-methoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3C[C@H](F)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1.

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

The InChIKey is VRNJHQNFMXNYAN-SEFVTTAQSA-N. The full InChI is InChI=1S/C28H28ClFN4O6S/c1-32(2)26(35)24-15-18(30)16-33(24)28(21-6-5-13-31-25(21)40-4)22-14-17(29)7-12-23(22)34(27(28)36)41(37,38)20-10-8-19(39-3)9-11-20/h5-14,18,24H,15-16H2,1-4H3/t18-,24+,28?/m1/s1.

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

(2S,4R)-1-[5-chloro-1-(4-methoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 603.07 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-1-[5-chloro-1-(4-methoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67043612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).