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

C18H17FN2O3S — CID 53177184

IUPAC1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)C2(CCN(S(=O)(=O)c3cccc(F)c3)C2)c2ccccc21
InChIInChI=1S/C18H17FN2O3S/c1-20-16-8-3-2-7-15(16)18(17(20)22)9-10-21(12-18)25(23,24)14-6-4-5-13(19)11-14/h2-8,11H,9-10,12H2,1H3
InChIKeySPXDNCRIRSPVBB-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.13
Rot. Bonds2

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

1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177184) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID53177184
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)C2(CCN(S(=O)(=O)c3cccc(F)c3)C2)c2ccccc21
InChIInChI=1S/C18H17FN2O3S/c1-20-16-8-3-2-7-15(16)18(17(20)22)9-10-21(12-18)25(23,24)14-6-4-5-13(19)11-14/h2-8,11H,9-10,12H2,1H3
InChIKeySPXDNCRIRSPVBB-UHFFFAOYSA-N
XLogP2.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 53177184) is 1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is CN1C(=O)C2(CCN(S(=O)(=O)c3cccc(F)c3)C2)c2ccccc21.
What is the InChIKey of 1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is SPXDNCRIRSPVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-20-16-8-3-2-7-15(16)18(17(20)22)9-10-21(12-18)25(23,24)14-6-4-5-13(19)11-14/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 360.41 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).