1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide

C11H14N2O3S — CID 150677121

IUPAC1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N(C)C1=O
InChIInChI=1S/C11H14N2O3S/c1-7-5-8-6-9(17(12,15)16)3-4-10(8)13(2)11(7)14/h3-4,6-7H,5H2,1-2H3,(H2,12,15,16)
InChIKeyJHCRNSRHZPYZLN-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.49
Rot. Bonds1

About 1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide

1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide (PubChem CID 150677121) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
PubChem CID150677121
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N(C)C1=O
InChIInChI=1S/C11H14N2O3S/c1-7-5-8-6-9(17(12,15)16)3-4-10(8)13(2)11(7)14/h3-4,6-7H,5H2,1-2H3,(H2,12,15,16)
InChIKeyJHCRNSRHZPYZLN-UHFFFAOYSA-N
XLogP0.49
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1253684
(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 26034686
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918356
(3S)-3-amino-1-hydroxy-6-methylsulfonyl-3,4-dihydroquinolin-2-one
CID 68782293
1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24563316
1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24556091
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24556080
(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918768
(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 40809955
(2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 39977365
(2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 36944261
1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride
CID 84705466

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The IUPAC name of 1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide (CID 150677121) is 1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide is CC1Cc2cc(S(N)(=O)=O)ccc2N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The InChIKey is JHCRNSRHZPYZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7-5-8-6-9(17(12,15)16)3-4-10(8)13(2)11(7)14/h3-4,6-7H,5H2,1-2H3,(H2,12,15,16).
What are the key properties of 1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 150677121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).