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

C18H17FN2O3S — CID 95104009

IUPAC(3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)[C@]2(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/t18-/m0/s1
InChIKeySPXDNCRIRSPVBB-SFHVURJKSA-N
MW360.41 g/mol
LogP2.13
Rot. Bonds2

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

(3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 95104009) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is (3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID95104009
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name(3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)[C@]2(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/t18-/m0/s1
InChIKeySPXDNCRIRSPVBB-SFHVURJKSA-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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Related Compounds

1'-(2-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177186
(3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103986
(3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95716062
5-methoxy-1-methyl-1'-(3-methylphenyl)sulfonylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177296
3-[(3S)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylbenzonitrile
CID 95104222
8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16896776
1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56906621
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-amine
CID 123166621
(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103940
CID 59909654
CID 59909654
(3R)-1'-(4-chlorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104183

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 95104009) is (3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is CN1C(=O)[C@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)c2ccccc21.
What is the InChIKey of (3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is SPXDNCRIRSPVBB-SFHVURJKSA-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/t18-/m0/s1.
What are the key properties of (3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
(3R)-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 (3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 95104009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).