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

C19H19FN2O4S — CID 53177292

IUPAC1'-(3-fluorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(S(=O)(=O)c3cccc(F)c3)C1)C(=O)N2C
InChIInChI=1S/C19H19FN2O4S/c1-21-17-7-6-14(26-2)11-16(17)19(18(21)23)8-9-22(12-19)27(24,25)15-5-3-4-13(20)10-15/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyQAMPJXOHIVTHHG-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.14
Rot. Bonds3

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

1'-(3-fluorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177292) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is 1'-(3-fluorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(3-fluorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID53177292
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name1'-(3-fluorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(S(=O)(=O)c3cccc(F)c3)C1)C(=O)N2C
InChIInChI=1S/C19H19FN2O4S/c1-21-17-7-6-14(26-2)11-16(17)19(18(21)23)8-9-22(12-19)27(24,25)15-5-3-4-13(20)10-15/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyQAMPJXOHIVTHHG-UHFFFAOYSA-N
XLogP2.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-fluorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(3-fluorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 53177292) is 1'-(3-fluorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(3-fluorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(3-fluorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(S(=O)(=O)c3cccc(F)c3)C1)C(=O)N2C.
What is the InChIKey of 1'-(3-fluorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is QAMPJXOHIVTHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-21-17-7-6-14(26-2)11-16(17)19(18(21)23)8-9-22(12-19)27(24,25)15-5-3-4-13(20)10-15/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of 1'-(3-fluorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
1'-(3-fluorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 390.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-fluorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).