9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one

C17H17FN2O3S — CID 134442566

IUPAC9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one
SMILESO=c1ccc2c([nH]1)CCC1NCCC21S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3S/c18-11-1-3-12(4-2-11)24(22,23)17-9-10-19-15(17)7-6-14-13(17)5-8-16(21)20-14/h1-5,8,15,19H,6-7,9-10H2,(H,20,21)
InChIKeyRVIYHKHTTIOYKD-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.49
Rot. Bonds2

About 9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one

9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one (PubChem CID 134442566) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one.

Molecular Properties

Compound Name9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one
PubChem CID134442566
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one
SMILESO=c1ccc2c([nH]1)CCC1NCCC21S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3S/c18-11-1-3-12(4-2-11)24(22,23)17-9-10-19-15(17)7-6-14-13(17)5-8-16(21)20-14/h1-5,8,15,19H,6-7,9-10H2,(H,20,21)
InChIKeyRVIYHKHTTIOYKD-UHFFFAOYSA-N
XLogP1.49
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one?
The IUPAC name of 9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one (CID 134442566) is 9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one.
What is the SMILES notation for 9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one?
The canonical SMILES for 9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one is O=c1ccc2c([nH]1)CCC1NCCC21S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one?
The InChIKey is RVIYHKHTTIOYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-11-1-3-12(4-2-11)24(22,23)17-9-10-19-15(17)7-6-14-13(17)5-8-16(21)20-14/h1-5,8,15,19H,6-7,9-10H2,(H,20,21).
What are the key properties of 9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one?
9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one has a molecular weight of 348.40 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one is sourced from PubChem (CID 134442566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).