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

C19H19FN2O4S — CID 53177073

IUPAC1'-(4-fluoro-3-methylphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(S(=O)(=O)c3ccc(F)c(C)c3)C1)C(=O)N2
InChIInChI=1S/C19H19FN2O4S/c1-12-9-14(4-5-16(12)20)27(24,25)22-8-7-19(11-22)15-10-13(26-2)3-6-17(15)21-18(19)23/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyJXKQYMQMKXLNPN-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.43
Rot. Bonds3

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

1'-(4-fluoro-3-methylphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177073) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is 1'-(4-fluoro-3-methylphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(4-fluoro-3-methylphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53177073
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name1'-(4-fluoro-3-methylphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(S(=O)(=O)c3ccc(F)c(C)c3)C1)C(=O)N2
InChIInChI=1S/C19H19FN2O4S/c1-12-9-14(4-5-16(12)20)27(24,25)22-8-7-19(11-22)15-10-13(26-2)3-6-17(15)21-18(19)23/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyJXKQYMQMKXLNPN-UHFFFAOYSA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-fluoro-3-methylphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(4-fluoro-3-methylphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53177073) is 1'-(4-fluoro-3-methylphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(4-fluoro-3-methylphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(4-fluoro-3-methylphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(S(=O)(=O)c3ccc(F)c(C)c3)C1)C(=O)N2.
What is the InChIKey of 1'-(4-fluoro-3-methylphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is JXKQYMQMKXLNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-12-9-14(4-5-16(12)20)27(24,25)22-8-7-19(11-22)15-10-13(26-2)3-6-17(15)21-18(19)23/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,23).
What are the key properties of 1'-(4-fluoro-3-methylphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(4-fluoro-3-methylphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 390.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-fluoro-3-methylphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).