(3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

C18H17FN2O4S — CID 95103781

IUPAC(3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3ccc(F)cc3)C1)C(=O)N2
InChIInChI=1S/C18H17FN2O4S/c1-25-13-4-7-16-15(10-13)18(17(22)20-16)8-9-21(11-18)26(23,24)14-5-2-12(19)3-6-14/h2-7,10H,8-9,11H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeyZJJDODNUDHDGQT-GOSISDBHSA-N
MW376.41 g/mol
LogP2.12
Rot. Bonds3

About (3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

(3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 95103781) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is (3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID95103781
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name(3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3ccc(F)cc3)C1)C(=O)N2
InChIInChI=1S/C18H17FN2O4S/c1-25-13-4-7-16-15(10-13)18(17(22)20-16)8-9-21(11-18)26(23,24)14-5-2-12(19)3-6-14/h2-7,10H,8-9,11H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeyZJJDODNUDHDGQT-GOSISDBHSA-N
XLogP2.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 95103781) is (3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3ccc(F)cc3)C1)C(=O)N2.
What is the InChIKey of (3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is ZJJDODNUDHDGQT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-25-13-4-7-16-15(10-13)18(17(22)20-16)8-9-21(11-18)26(23,24)14-5-2-12(19)3-6-14/h2-7,10H,8-9,11H2,1H3,(H,20,22)/t18-/m1/s1.
What are the key properties of (3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 376.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 95103781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).