3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid

C16H15NO4S — CID 2315499

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C16H15NO4S/c18-16(19)13-6-3-8-14(11-13)22(20,21)17-10-4-7-12-5-1-2-9-15(12)17/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19)
InChIKeyQWYQADXOPOXONA-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.53
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (PubChem CID 2315499) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid
PubChem CID2315499
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C16H15NO4S/c18-16(19)13-6-3-8-14(11-13)22(20,21)17-10-4-7-12-5-1-2-9-15(12)17/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19)
InChIKeyQWYQADXOPOXONA-UHFFFAOYSA-N
XLogP2.53
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 712934
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CID 2433199
2-(((3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl)carbonyl)amino)benzoic acid
CID 24941254
5-(Piperidine-1-sulfonyl)-2-(pyrrolidin-1-yl)benzoic acid
CID 2565885
3-(Allyl-Phenyl-Sulfamoyl)-Benzoic Acid
CID 2386003
3-[Benzyl(phenyl)sulfamoyl]benzoic acid
CID 2389222
4-(1,2,3,4-Tetrahydroquinoline-1-sulfonyl)benzoic acid
CID 2318939
2-(3,5-Dimethylpiperidino)-5-[(phenylsulfonyl)amino]benzoic acid
CID 2804709
3-[Butyl(phenyl)sulfamoyl]benzoic acid
CID 2329095
3-[Benzyl(2-chlorophenyl)sulfamoyl]benzoic acid
CID 2385977
3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid
CID 645890
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CID 2357158

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (CID 2315499) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid is O=C(O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid?
The InChIKey is QWYQADXOPOXONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c18-16(19)13-6-3-8-14(11-13)22(20,21)17-10-4-7-12-5-1-2-9-15(12)17/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid has a molecular weight of 317.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid is sourced from PubChem (CID 2315499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).