N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide

C19H24N2O4S2 — CID 27656188

IUPACN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide
SMILESCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(C)cc3C)ccc21
InChIInChI=1S/C19H24N2O4S2/c1-4-26(22,23)21-11-5-6-16-13-17(8-9-18(16)21)20-27(24,25)19-10-7-14(2)12-15(19)3/h7-10,12-13,20H,4-6,11H2,1-3H3
InChIKeyRVQXWSVONDVFEQ-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.21
Rot. Bonds5

About N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide (PubChem CID 27656188) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide
PubChem CID27656188
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide
SMILESCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(C)cc3C)ccc21
InChIInChI=1S/C19H24N2O4S2/c1-4-26(22,23)21-11-5-6-16-13-17(8-9-18(16)21)20-27(24,25)19-10-7-14(2)12-15(19)3/h7-10,12-13,20H,4-6,11H2,1-3H3
InChIKeyRVQXWSVONDVFEQ-UHFFFAOYSA-N
XLogP3.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 20963067
N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide
CID 27656182
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethylbenzenesulfonamide
CID 18565172
2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27368931
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 20963062
1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 43955953
3-chloro-4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448468
N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide
CID 16835489
N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 110623316
3-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxybenzenesulfonamide
CID 42448515
4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide
CID 43990641
1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 83093286

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide (CID 27656188) is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide is CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(C)cc3C)ccc21.
What is the InChIKey of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is RVQXWSVONDVFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-4-26(22,23)21-11-5-6-16-13-17(8-9-18(16)21)20-27(24,25)19-10-7-14(2)12-15(19)3/h7-10,12-13,20H,4-6,11H2,1-3H3.
What are the key properties of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide?
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 408.55 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 27656188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).