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

C19H18F2N2O2S — CID 46880658

IUPAC5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole
SMILESCN1CCC(n2cc(S(=O)(=O)c3cccc(F)c3)c3cc(F)ccc32)C1
InChIInChI=1S/C19H18F2N2O2S/c1-22-8-7-15(11-22)23-12-19(17-10-14(21)5-6-18(17)23)26(24,25)16-4-2-3-13(20)9-16/h2-6,9-10,12,15H,7-8,11H2,1H3
InChIKeyVQKUYLJQGPKXQK-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.63
Rot. Bonds3

About 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole

5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole (PubChem CID 46880658) has the molecular formula C19H18F2N2O2S and a molecular weight of 376.43 g/mol. Its IUPAC name is 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole.

Molecular Properties

Compound Name5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole
PubChem CID46880658
Molecular FormulaC19H18F2N2O2S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole
SMILESCN1CCC(n2cc(S(=O)(=O)c3cccc(F)c3)c3cc(F)ccc32)C1
InChIInChI=1S/C19H18F2N2O2S/c1-22-8-7-15(11-22)23-12-19(17-10-14(21)5-6-18(17)23)26(24,25)16-4-2-3-13(20)9-16/h2-6,9-10,12,15H,7-8,11H2,1H3
InChIKeyVQKUYLJQGPKXQK-UHFFFAOYSA-N
XLogP3.63
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole?
The IUPAC name of 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole (CID 46880658) is 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole.
What is the SMILES notation for 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole?
The canonical SMILES for 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole is CN1CCC(n2cc(S(=O)(=O)c3cccc(F)c3)c3cc(F)ccc32)C1.
What is the InChIKey of 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole?
The InChIKey is VQKUYLJQGPKXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2S/c1-22-8-7-15(11-22)23-12-19(17-10-14(21)5-6-18(17)23)26(24,25)16-4-2-3-13(20)9-16/h2-6,9-10,12,15H,7-8,11H2,1H3.
What are the key properties of 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole?
5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole has a molecular weight of 376.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole is sourced from PubChem (CID 46880658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).