1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C18H20N2O3S — CID 4248611

IUPAC1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3C)ccc21
InChIInChI=1S/C18H20N2O3S/c1-13-6-3-4-8-17(13)19-24(22,23)16-9-10-18-15(12-16)7-5-11-20(18)14(2)21/h3-4,6,8-10,12,19H,5,7,11H2,1-2H3
InChIKeyUWOCJGVZGPWSBL-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.09
Rot. Bonds3

About 1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 4248611) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID4248611
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3C)ccc21
InChIInChI=1S/C18H20N2O3S/c1-13-6-3-4-8-17(13)19-24(22,23)16-9-10-18-15(12-16)7-5-11-20(18)14(2)21/h3-4,6,8-10,12,19H,5,7,11H2,1-2H3
InChIKeyUWOCJGVZGPWSBL-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinoline
CID 7064100
1,2,3,4-Tetrahydroquinoline-6-sulfonamide
CID 16227153
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 4547230
N-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7601955
N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656150
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7066682
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-cyclohexyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647908
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 4248611) is 1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3C)ccc21.
What is the InChIKey of 1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is UWOCJGVZGPWSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-6-3-4-8-17(13)19-24(22,23)16-9-10-18-15(12-16)7-5-11-20(18)14(2)21/h3-4,6,8-10,12,19H,5,7,11H2,1-2H3.
What are the key properties of 1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 4248611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).