5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline

C13H11F2NO2S2 — CID 39840756

IUPAC5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1cccs1)N1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C13H11F2NO2S2/c14-9-7-11(15)10-3-1-5-16(12(10)8-9)20(17,18)13-4-2-6-19-13/h2,4,6-8H,1,3,5H2
InChIKeyYIFFBWVRONMPHF-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.17
Rot. Bonds2

About 5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline

5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 39840756) has the molecular formula C13H11F2NO2S2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID39840756
Molecular FormulaC13H11F2NO2S2
Molecular Weight315.37 g/mol
Exact Mass315.02
IUPAC Name5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1cccs1)N1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C13H11F2NO2S2/c14-9-7-11(15)10-3-1-5-16(12(10)8-9)20(17,18)13-4-2-6-19-13/h2,4,6-8H,1,3,5H2
InChIKeyYIFFBWVRONMPHF-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 43955897
4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 99773671
3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 43990543
1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 19684927
N-[3-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 47029823
5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 110316037
3,4-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16831231
N'-(2-methylphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 16823353
2,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 43955914
3,5-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16831226
1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104538378
4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834893

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline (CID 39840756) is 5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline is O=S(=O)(c1cccs1)N1CCCc2c(F)cc(F)cc21.
What is the InChIKey of 5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is YIFFBWVRONMPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2S2/c14-9-7-11(15)10-3-1-5-16(12(10)8-9)20(17,18)13-4-2-6-19-13/h2,4,6-8H,1,3,5H2.
What are the key properties of 5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 315.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 39840756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).