1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline

C18H13FN2O4S — CID 110672782

IUPAC1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESO=S(=O)(c1ccc2c(c1)OCO2)N1CCc2cc3ccc(F)cc3nc21
InChIInChI=1S/C18H13FN2O4S/c19-13-2-1-11-7-12-5-6-21(18(12)20-15(11)8-13)26(22,23)14-3-4-16-17(9-14)25-10-24-16/h1-4,7-9H,5-6,10H2
InChIKeySYRYPQBDZITELL-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.85
Rot. Bonds2

About 1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline

1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 110672782) has the molecular formula C18H13FN2O4S and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID110672782
Molecular FormulaC18H13FN2O4S
Molecular Weight372.38 g/mol
Exact Mass372.06
IUPAC Name1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESO=S(=O)(c1ccc2c(c1)OCO2)N1CCc2cc3ccc(F)cc3nc21
InChIInChI=1S/C18H13FN2O4S/c19-13-2-1-11-7-12-5-6-21(18(12)20-15(11)8-13)26(22,23)14-3-4-16-17(9-14)25-10-24-16/h1-4,7-9H,5-6,10H2
InChIKeySYRYPQBDZITELL-UHFFFAOYSA-N
XLogP2.85
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-Benzodioxol-5-ylsulfonyl)piperazin-1-yl]quinoline
CID 145979386
1-(2-Methoxy-5-methylbenzenesulfonyl)-1H,2H,3H-pyrrolo[2,3-B]quinoline
CID 20996202
1-(3,4-Dimethoxybenzenesulfonyl)-1H,2H,3H-pyrrolo[2,3-B]quinoline
CID 20996203
1-(4-Fluorobenzenesulfonyl)-7-methoxy-1H,2H,3H-pyrrolo[2,3-B]quinoline
CID 20996449
1-(4-Fluoro-3-methylbenzenesulfonyl)-7-methoxy-1H,2H,3H-pyrrolo[2,3-B]quinoline
CID 20996455
1-(4-Fluoro-2-methylbenzenesulfonyl)-7-methoxy-1H,2H,3H-pyrrolo[2,3-B]quinoline
CID 20996456
1-[1-[(2,2-Difluoro-1,3-benzodioxol-5-yl)sulfonyl]piperidin-4-yl]-2-phenylpyrrolo[2,3-b]pyridine
CID 117621235
1-[1-[(2,2-Difluoro-1,3-benzodioxol-5-yl)sulfonyl]piperidin-4-yl]-2-phenylindole
CID 117621316
3-[1-[(2,2-Difluoro-1,3-benzodioxol-5-yl)sulfonyl]piperidin-4-yl]-2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridine
CID 117621387
3-[1-[(2,2-Difluoro-1,3-benzodioxol-5-yl)sulfonyl]piperidin-4-yl]-2-(2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine
CID 117621389
1-[1-[(2,2-Difluoro-1,3-benzodioxol-5-yl)sulfinyl]piperidin-4-yl]-2-phenylindole
CID 144728702
1-(4-Fluorophenyl)sulfonyl-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline
CID 24315752

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline (CID 110672782) is 1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline is O=S(=O)(c1ccc2c(c1)OCO2)N1CCc2cc3ccc(F)cc3nc21.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is SYRYPQBDZITELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O4S/c19-13-2-1-11-7-12-5-6-21(18(12)20-15(11)8-13)26(22,23)14-3-4-16-17(9-14)25-10-24-16/h1-4,7-9H,5-6,10H2.
What are the key properties of 1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 372.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylsulfonyl)-7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 110672782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).