1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid

C14H13NO4S2 — CID 146124471

IUPAC1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccsc1
InChIInChI=1S/C14H13NO4S2/c16-14(17)11-3-4-13-10(8-11)2-1-6-15(13)21(18,19)12-5-7-20-9-12/h3-5,7-9H,1-2,6H2,(H,16,17)
InChIKeyCEZIOTIMVHOPAA-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.59
Rot. Bonds3

About 1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid

1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 146124471) has the molecular formula C14H13NO4S2 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID146124471
Molecular FormulaC14H13NO4S2
Molecular Weight323.39 g/mol
Exact Mass323.03
IUPAC Name1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccsc1
InChIInChI=1S/C14H13NO4S2/c16-14(17)11-3-4-13-10(8-11)2-1-6-15(13)21(18,19)12-5-7-20-9-12/h3-5,7-9H,1-2,6H2,(H,16,17)
InChIKeyCEZIOTIMVHOPAA-UHFFFAOYSA-N
XLogP2.59
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 52582833
4-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 110737435
1-(3-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 61062442
3-[(6-ethoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
CID 71853034
1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 78873415
1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid
CID 60916629
1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 102662224
1-[4-(3-carboxypropoxy)-3-methylphenyl]sulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 56556573
1-(methoxycarbonylsulfamoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 114462048
1-butylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43142373
4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide
CID 18125908
2-[(6-acetyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile
CID 110737760

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 146124471) is 1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid is O=C(O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccsc1.
What is the InChIKey of 1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is CEZIOTIMVHOPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S2/c16-14(17)11-3-4-13-10(8-11)2-1-6-15(13)21(18,19)12-5-7-20-9-12/h3-5,7-9H,1-2,6H2,(H,16,17).
What are the key properties of 1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 146124471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).