7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline

C14H14FNO2S2 — CID 2942513

IUPAC7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccc(F)cc2N1S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14FNO2S2/c1-10-4-5-11-6-7-12(15)9-13(11)16(10)20(17,18)14-3-2-8-19-14/h2-3,6-10H,4-5H2,1H3
InChIKeyQJZJICCUBCDFGA-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.42
Rot. Bonds2

About 7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline

7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 2942513) has the molecular formula C14H14FNO2S2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID2942513
Molecular FormulaC14H14FNO2S2
Molecular Weight311.40 g/mol
Exact Mass311.04
IUPAC Name7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccc(F)cc2N1S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14FNO2S2/c1-10-4-5-11-6-7-12(15)9-13(11)16(10)20(17,18)14-3-2-8-19-14/h2-3,6-10H,4-5H2,1H3
InChIKeyQJZJICCUBCDFGA-UHFFFAOYSA-N
XLogP3.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide
CID 2474125
1-(Thiophene-2-sulfonyl)-2,3-dihydro-1H-indole
CID 654187
N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
CID 20963034
1-(2-Fluoro-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 893389
2-{[4-(2-Methylphenyl)piperazinyl]sulfonyl}thiophene
CID 6470203
1-(Thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 2051438
1-(4-Fluoro-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 762463
N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
CID 20962985
1-(2,3-Dimethyl-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 894111
2-Methyl-1-(2-thienylsulfonyl)indoline
CID 2943362
2-Methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 3402745
[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]methanamine
CID 43332876

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline (CID 2942513) is 7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline is CC1CCc2ccc(F)cc2N1S(=O)(=O)c1cccs1.
What is the InChIKey of 7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is QJZJICCUBCDFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S2/c1-10-4-5-11-6-7-12(15)9-13(11)16(10)20(17,18)14-3-2-8-19-14/h2-3,6-10H,4-5H2,1H3.
What are the key properties of 7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 311.40 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 2942513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).