6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate

C18H15N2O5S- — CID 4050234

IUPAC6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)[O-])c(=O)c2c1
InChIInChI=1S/C18H16N2O5S/c1-20(11-12-5-3-2-4-6-12)26(24,25)13-7-8-16-14(9-13)17(21)15(10-19-16)18(22)23/h2-10H,11H2,1H3,(H,19,21)(H,22,23)/p-1
InChIKeySCOPQECCRFYYCR-UHFFFAOYSA-M
MW371.39 g/mol
LogP0.71
Rot. Bonds5

About 6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate

6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 4050234) has the molecular formula C18H15N2O5S- and a molecular weight of 371.39 g/mol. Its IUPAC name is 6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
PubChem CID4050234
Molecular FormulaC18H15N2O5S-
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)[O-])c(=O)c2c1
InChIInChI=1S/C18H16N2O5S/c1-20(11-12-5-3-2-4-6-12)26(24,25)13-7-8-16-14(9-13)17(21)15(10-19-16)18(22)23/h2-10H,11H2,1H3,(H,19,21)(H,22,23)/p-1
InChIKeySCOPQECCRFYYCR-UHFFFAOYSA-M
XLogP0.71
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
CID 4121031
6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 3513999
6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide
CID 5216666
3-[8-[benzyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68935789
N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760655
6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141331217
6-acetyl-4-oxo-1H-quinoline-3-carboxylate
CID 4276311
6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3519718
N-benzyl-5-[benzyl(methyl)sulfamoyl]-2-chloro-N-methylbenzamide
CID 24539973
N-[(3-bromophenyl)methyl]-6-(diethylsulfamoyl)-4-oxo-1H-quinoline-3-carboxamide
CID 141331207
4-oxo-N-(2-phenylethyl)-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
CID 5210879
methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate
CID 96566230

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of 6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate (CID 4050234) is 6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for 6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for 6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate is CN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)[O-])c(=O)c2c1.
What is the InChIKey of 6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is SCOPQECCRFYYCR-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16N2O5S/c1-20(11-12-5-3-2-4-6-12)26(24,25)13-7-8-16-14(9-13)17(21)15(10-19-16)18(22)23/h2-10H,11H2,1H3,(H,19,21)(H,22,23)/p-1.
What are the key properties of 6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate?
6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 4050234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).