2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide

C17H18N2O3S — CID 20933631

IUPAC2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c(C)c1
InChIInChI=1S/C17H18N2O3S/c1-11-3-7-16(12(2)9-11)23(21,22)19-14-5-6-15-13(10-14)4-8-17(20)18-15/h3,5-7,9-10,19H,4,8H2,1-2H3,(H,18,20)
InChIKeyLMXGZHKLUWMCNE-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.99
Rot. Bonds3

About 2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide

2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide (PubChem CID 20933631) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
PubChem CID20933631
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c(C)c1
InChIInChI=1S/C17H18N2O3S/c1-11-3-7-16(12(2)9-11)23(21,22)19-14-5-6-15-13(10-14)4-8-17(20)18-15/h3,5-7,9-10,19H,4,8H2,1-2H3,(H,18,20)
InChIKeyLMXGZHKLUWMCNE-UHFFFAOYSA-N
XLogP2.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 43604252
2,4-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzenesulfonamide
CID 110781617
4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933627
2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide
CID 110405656
N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55896457
N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46925987
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid
CID 56643198
1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide
CID 40889588
4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide
CID 43604283
4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide
CID 171138862
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide
CID 107651248

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide (CID 20933631) is 2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide?
The InChIKey is LMXGZHKLUWMCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-3-7-16(12(2)9-11)23(21,22)19-14-5-6-15-13(10-14)4-8-17(20)18-15/h3,5-7,9-10,19H,4,8H2,1-2H3,(H,18,20).
What are the key properties of 2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide?
2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 20933631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).