6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid

C18H16N2O5S — CID 3513999

IUPAC6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1
InChIInChI=1S/C18H16N2O5S/c1-2-20(12-6-4-3-5-7-12)26(24,25)13-8-9-16-14(10-13)17(21)15(11-19-16)18(22)23/h3-11H,2H2,1H3,(H,19,21)(H,22,23)
InChIKeyLDHNZGZCXFICKC-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.44
Rot. Bonds5

About 6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid

6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 3513999) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID3513999
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1
InChIInChI=1S/C18H16N2O5S/c1-2-20(12-6-4-3-5-7-12)26(24,25)13-8-9-16-14(10-13)17(21)15(11-19-16)18(22)23/h3-11H,2H2,1H3,(H,19,21)(H,22,23)
InChIKeyLDHNZGZCXFICKC-UHFFFAOYSA-N
XLogP2.44
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
CID 3519999
6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 4620966
6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
CID 4050234
4-oxo-N-(2-phenylethyl)-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
CID 5210879
N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide
CID 110760013
6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide
CID 5216666
N-ethyl-6-oxo-N-phenyl-1H-pyridine-3-sulfonamide
CID 829830
6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 3236136
6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
CID 4121031
N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 100820451
2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557
N-[(3-bromophenyl)methyl]-6-(diethylsulfamoyl)-4-oxo-1H-quinoline-3-carboxamide
CID 141331207

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid (CID 3513999) is 6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid is CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1.
What is the InChIKey of 6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is LDHNZGZCXFICKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-2-20(12-6-4-3-5-7-12)26(24,25)13-8-9-16-14(10-13)17(21)15(11-19-16)18(22)23/h3-11H,2H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid?
6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 3513999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).