1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

C18H17FN2O4S — CID 53177078

IUPAC1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(S(=O)(=O)c3cccc(F)c3)C1)C(=O)N2
InChIInChI=1S/C18H17FN2O4S/c1-25-13-5-6-16-15(10-13)18(17(22)20-16)7-8-21(11-18)26(23,24)14-4-2-3-12(19)9-14/h2-6,9-10H,7-8,11H2,1H3,(H,20,22)
InChIKeyPHJKQGDKOKXMPX-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.12
Rot. Bonds3

About 1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177078) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is 1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53177078
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(S(=O)(=O)c3cccc(F)c3)C1)C(=O)N2
InChIInChI=1S/C18H17FN2O4S/c1-25-13-5-6-16-15(10-13)18(17(22)20-16)7-8-21(11-18)26(23,24)14-4-2-3-12(19)9-14/h2-6,9-10H,7-8,11H2,1H3,(H,20,22)
InChIKeyPHJKQGDKOKXMPX-UHFFFAOYSA-N
XLogP2.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53177078) is 1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(S(=O)(=O)c3cccc(F)c3)C1)C(=O)N2.
What is the InChIKey of 1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is PHJKQGDKOKXMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-25-13-5-6-16-15(10-13)18(17(22)20-16)7-8-21(11-18)26(23,24)14-4-2-3-12(19)9-14/h2-6,9-10H,7-8,11H2,1H3,(H,20,22).
What are the key properties of 1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 376.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).