1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline

C14H13ClFNO2S2 — CID 2942447

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccc(F)cc2N1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClFNO2S2/c1-9-2-3-10-4-5-11(16)8-12(10)17(9)21(18,19)14-7-6-13(15)20-14/h4-9H,2-3H2,1H3
InChIKeyQFOUOWKUVBUCIE-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.07
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline

1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 2942447) has the molecular formula C14H13ClFNO2S2 and a molecular weight of 345.85 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID2942447
Molecular FormulaC14H13ClFNO2S2
Molecular Weight345.85 g/mol
Exact Mass345.01
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccc(F)cc2N1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClFNO2S2/c1-9-2-3-10-4-5-11(16)8-12(10)17(9)21(18,19)14-7-6-13(15)20-14/h4-9H,2-3H2,1H3
InChIKeyQFOUOWKUVBUCIE-UHFFFAOYSA-N
XLogP4.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline (CID 2942447) is 1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline is CC1CCc2ccc(F)cc2N1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is QFOUOWKUVBUCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S2/c1-9-2-3-10-4-5-11(16)8-12(10)17(9)21(18,19)14-7-6-13(15)20-14/h4-9H,2-3H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 345.85 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 2942447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).