5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid

C15H15NO4S2 — CID 51115553

IUPAC5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2CCCc3ccccc32)sc1C(=O)O
InChIInChI=1S/C15H15NO4S2/c1-10-9-13(21-14(10)15(17)18)22(19,20)16-8-4-6-11-5-2-3-7-12(11)16/h2-3,5,7,9H,4,6,8H2,1H3,(H,17,18)
InChIKeyIBRLIVSHODIAFO-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.90
Rot. Bonds3

About 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid

5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid (PubChem CID 51115553) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid
PubChem CID51115553
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2CCCc3ccccc32)sc1C(=O)O
InChIInChI=1S/C15H15NO4S2/c1-10-9-13(21-14(10)15(17)18)22(19,20)16-8-4-6-11-5-2-3-7-12(11)16/h2-3,5,7,9H,4,6,8H2,1H3,(H,17,18)
InChIKeyIBRLIVSHODIAFO-UHFFFAOYSA-N
XLogP2.90
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thiophenecarboxylic acid, 3-((methylphenylamino)sulfonyl)-
CID 3072131
3-Thiophenecarboxylic acid, 4-((methylphenylamino)sulfonyl)-
CID 3072133
5-[(3-Ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314463
5-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methylthiophene-2-carboxylic acid
CID 51121385
5-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methylthiophene-2-carboxylic acid
CID 56797607
5-[(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methylthiophene-2-carboxylic acid
CID 56797611
5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methylthiophene-2-carboxylic acid
CID 56797636
5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid
CID 56797639
5-[(2,3-Dimethylphenyl)-methylsulfamoyl]thiophene-3-carboxylic acid
CID 56797679
5-[(3,5-Dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid
CID 56797695
5-[(6-bromo-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methylthiophene-2-carboxylic acid
CID 56797696
5-[(4-Tert-butylphenyl)-methylsulfamoyl]thiophene-3-carboxylic acid
CID 56798234

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid (CID 51115553) is 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)N2CCCc3ccccc32)sc1C(=O)O.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid?
The InChIKey is IBRLIVSHODIAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-10-9-13(21-14(10)15(17)18)22(19,20)16-8-4-6-11-5-2-3-7-12(11)16/h2-3,5,7,9H,4,6,8H2,1H3,(H,17,18).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid?
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 51115553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).