(2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C21H22FN3O4S — CID 166622560

IUPAC(2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2[C@@]12CCN(S(=O)(=O)N1CCOCC1)[C@H]2c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O4S/c22-16-7-5-15(6-8-16)19-21(17-3-1-2-4-18(17)23-20(21)26)9-10-25(19)30(27,28)24-11-13-29-14-12-24/h1-8,19H,9-14H2,(H,23,26)/t19-,21+/m0/s1
InChIKeyWLOVMIFYMIAQCZ-PZJWPPBQSA-N
MW431.49 g/mol
LogP2.04
Rot. Bonds3

About (2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166622560) has the molecular formula C21H22FN3O4S and a molecular weight of 431.49 g/mol. Its IUPAC name is (2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166622560
Molecular FormulaC21H22FN3O4S
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC Name(2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2[C@@]12CCN(S(=O)(=O)N1CCOCC1)[C@H]2c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O4S/c22-16-7-5-15(6-8-16)19-21(17-3-1-2-4-18(17)23-20(21)26)9-10-25(19)30(27,28)24-11-13-29-14-12-24/h1-8,19H,9-14H2,(H,23,26)/t19-,21+/m0/s1
InChIKeyWLOVMIFYMIAQCZ-PZJWPPBQSA-N
XLogP2.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619954
(2'S,3R)-2'-(4-fluorophenyl)-1'-(3-methyloxetane-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614215
(2'S,3R)-1'-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615956
(2'S,3R)-1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615691
(2'S,3R)-1'-(1,2-oxazole-5-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621828
(2'S,3R)-2'-(4-fluorophenyl)-1'-[3-(1,2,4-triazol-1-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622291
(2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612719
(2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620503
(2'S,3R)-1'-ethylsulfonyl-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171322090
1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613461
1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171322596
(2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide
CID 166614292

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166622560) is (2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1Nc2ccccc2[C@@]12CCN(S(=O)(=O)N1CCOCC1)[C@H]2c1ccc(F)cc1.
What is the InChIKey of (2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is WLOVMIFYMIAQCZ-PZJWPPBQSA-N. The full InChI is InChI=1S/C21H22FN3O4S/c22-16-7-5-15(6-8-16)19-21(17-3-1-2-4-18(17)23-20(21)26)9-10-25(19)30(27,28)24-11-13-29-14-12-24/h1-8,19H,9-14H2,(H,23,26)/t19-,21+/m0/s1.
What are the key properties of (2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 431.49 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166622560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).