6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one

C35H37ClN4O6S — CID 67445790

About 6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one

6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one (PubChem CID 67445790) has the molecular formula C35H37ClN4O6S and a molecular weight of 677.22 g/mol. Its IUPAC name is 6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one
• PubChem CID: 67445790
• Molecular Formula: C35H37ClN4O6S
• Molecular Weight: 677.22 g/mol
• Exact Mass: 676.21
• IUPAC Name: 6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one
• SMILES: COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(CN4CCCCC4)ccc3OC)(N3CCCC3c3ncco3)c3ccc(Cl)cc32)cc1
• InChI: InChI=1S/C35H37ClN4O6S/c1-44-26-10-12-27(13-11-26)47(42,43)40-31-22-25(36)9-14-28(31)35(34(40)41,39-19-6-7-30(39)33-37-16-20-46-33)29-21-24(8-15-32(29)45-2)23-38-17-4-3-5-18-38/h8-16,20-22,30H,3-7,17-19,23H2,1-2H3
• InChIKey: QLCDTWLRNJMYJY-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 105.42 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.22
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?

The IUPAC name of 6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one (CID 67445790) is 6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one.

What is the SMILES notation for 6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?

The canonical SMILES for 6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one is COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(CN4CCCCC4)ccc3OC)(N3CCCC3c3ncco3)c3ccc(Cl)cc32)cc1.

What is the InChIKey of 6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?

The InChIKey is QLCDTWLRNJMYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37ClN4O6S/c1-44-26-10-12-27(13-11-26)47(42,43)40-31-22-25(36)9-14-28(31)35(34(40)41,39-19-6-7-30(39)33-37-16-20-46-33)29-21-24(8-15-32(29)45-2)23-38-17-4-3-5-18-38/h8-16,20-22,30H,3-7,17-19,23H2,1-2H3.

What are the key properties of 6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?

6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one has a molecular weight of 677.22 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one is sourced from PubChem (CID 67445790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).