N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide

C19H24N2O4S2 — CID 42448641

IUPACN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(C)cc3)cc21
InChIInChI=1S/C19H24N2O4S2/c1-3-27(24,25)21-12-4-5-17-10-11-18(13-19(17)21)20-26(22,23)14-16-8-6-15(2)7-9-16/h6-11,13,20H,3-5,12,14H2,1-2H3
InChIKeyZXAHJADVTKIXOU-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.04
Rot. Bonds6

About N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide (PubChem CID 42448641) 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-7-yl)-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide
PubChem CID42448641
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(C)cc3)cc21
InChIInChI=1S/C19H24N2O4S2/c1-3-27(24,25)21-12-4-5-17-10-11-18(13-19(17)21)20-26(22,23)14-16-8-6-15(2)7-9-16/h6-11,13,20H,3-5,12,14H2,1-2H3
InChIKeyZXAHJADVTKIXOU-UHFFFAOYSA-N
XLogP3.04
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide
CID 43990643
1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 112506000
4-ethyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963035
4-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963050
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 20963062
4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide
CID 43990641
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 20963067
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
CID 27656011
1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 43955953
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide
CID 27656188
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1-naphthalen-1-ylmethanesulfonamide
CID 43955982
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-methylphenyl)propanamide
CID 110303798

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide (CID 42448641) is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide is CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(C)cc3)cc21.
What is the InChIKey of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is ZXAHJADVTKIXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-3-27(24,25)21-12-4-5-17-10-11-18(13-19(17)21)20-26(22,23)14-16-8-6-15(2)7-9-16/h6-11,13,20H,3-5,12,14H2,1-2H3.
What are the key properties of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide?
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 408.55 g/mol, XLogP of 3.04, 6 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-7-yl)-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 42448641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).