1'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

C18H17FN2O3S — CID 53177173

IUPAC1'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)C2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)c2ccccc21
InChIInChI=1S/C18H17FN2O3S/c1-20-16-5-3-2-4-15(16)18(17(20)22)10-11-21(12-18)25(23,24)14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3
InChIKeyXPTNIJNLXUYPKG-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.13
Rot. Bonds2

About 1'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

1'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177173) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 1'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID53177173
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name1'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)C2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)c2ccccc21
InChIInChI=1S/C18H17FN2O3S/c1-20-16-5-3-2-4-15(16)18(17(20)22)10-11-21(12-18)25(23,24)14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3
InChIKeyXPTNIJNLXUYPKG-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'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 53177173) is 1'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is CN1C(=O)C2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)c2ccccc21.
What is the InChIKey of 1'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is XPTNIJNLXUYPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-20-16-5-3-2-4-15(16)18(17(20)22)10-11-21(12-18)25(23,24)14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3.
What are the key properties of 1'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
1'-(4-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'-(4-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).