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

C34H35ClN4O7S — CID 77292868

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

5-chloro-3-[4-hydroxy-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]indol-2-one (PubChem CID 77292868) has the molecular formula C34H35ClN4O7S and a molecular weight of 679.20 g/mol. Its IUPAC name is 5-chloro-3-[4-hydroxy-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]indol-2-one.

Molecular Properties

• Compound Name: 5-chloro-3-[4-hydroxy-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]indol-2-one
• PubChem CID: 77292868
• Molecular Formula: C34H35ClN4O7S
• Molecular Weight: 679.20 g/mol
• Exact Mass: 678.19
• IUPAC Name: 5-chloro-3-[4-hydroxy-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]indol-2-one
• SMILES: COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(CN4CCCC4)ccc3OC)(N3CC(O)CC3c3ncco3)c3cc(Cl)ccc32)cc1
• InChI: InChI=1S/C34H35ClN4O7S/c1-44-25-7-9-26(10-8-25)47(42,43)39-29-11-6-23(35)18-27(29)34(33(39)41,38-21-24(40)19-30(38)32-36-13-16-46-32)28-17-22(5-12-31(28)45-2)20-37-14-3-4-15-37/h5-13,16-18,24,30,40H,3-4,14-15,19-21H2,1-2H3
• InChIKey: QGFWURQFZPZGMY-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 125.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	679.20
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 5-chloro-3-[4-hydroxy-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]indol-2-one (CID 77292868) is 5-chloro-3-[4-hydroxy-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]indol-2-one.

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

The canonical SMILES for 5-chloro-3-[4-hydroxy-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]indol-2-one is COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(CN4CCCC4)ccc3OC)(N3CC(O)CC3c3ncco3)c3cc(Cl)ccc32)cc1.

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

The InChIKey is QGFWURQFZPZGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClN4O7S/c1-44-25-7-9-26(10-8-25)47(42,43)39-29-11-6-23(35)18-27(29)34(33(39)41,38-21-24(40)19-30(38)32-36-13-16-46-32)28-17-22(5-12-31(28)45-2)20-37-14-3-4-15-37/h5-13,16-18,24,30,40H,3-4,14-15,19-21H2,1-2H3.

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

5-chloro-3-[4-hydroxy-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]indol-2-one has a molecular weight of 679.20 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-[4-hydroxy-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]indol-2-one is sourced from PubChem (CID 77292868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).