3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole

C19H19FN2O2S — CID 46880655

IUPAC3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole
SMILESCN1CCC(n2cc(S(=O)(=O)c3cccc(F)c3)c3ccccc32)C1
InChIInChI=1S/C19H19FN2O2S/c1-21-10-9-15(12-21)22-13-19(17-7-2-3-8-18(17)22)25(23,24)16-6-4-5-14(20)11-16/h2-8,11,13,15H,9-10,12H2,1H3
InChIKeyNNOHEYLTIADEJF-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.49
Rot. Bonds3

About 3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole

3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole (PubChem CID 46880655) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole
PubChem CID46880655
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole
SMILESCN1CCC(n2cc(S(=O)(=O)c3cccc(F)c3)c3ccccc32)C1
InChIInChI=1S/C19H19FN2O2S/c1-21-10-9-15(12-21)22-13-19(17-7-2-3-8-18(17)22)25(23,24)16-6-4-5-14(20)11-16/h2-8,11,13,15H,9-10,12H2,1H3
InChIKeyNNOHEYLTIADEJF-UHFFFAOYSA-N
XLogP3.49
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole?
The IUPAC name of 3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole (CID 46880655) is 3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole?
The canonical SMILES for 3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole is CN1CCC(n2cc(S(=O)(=O)c3cccc(F)c3)c3ccccc32)C1.
What is the InChIKey of 3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole?
The InChIKey is NNOHEYLTIADEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-21-10-9-15(12-21)22-13-19(17-7-2-3-8-18(17)22)25(23,24)16-6-4-5-14(20)11-16/h2-8,11,13,15H,9-10,12H2,1H3.
What are the key properties of 3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole?
3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole has a molecular weight of 358.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole is sourced from PubChem (CID 46880655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).