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

C19H24N2O4S2 — CID 43990643

IUPACN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccccc3C)cc21
InChIInChI=1S/C19H24N2O4S2/c1-3-27(24,25)21-12-6-9-16-10-11-18(13-19(16)21)20-26(22,23)14-17-8-5-4-7-15(17)2/h4-5,7-8,10-11,13,20H,3,6,9,12,14H2,1-2H3
InChIKeyUKTXRSJILSKAAT-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.04
Rot. Bonds6

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

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide (PubChem CID 43990643) 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-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide
PubChem CID43990643
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccccc3C)cc21
InChIInChI=1S/C19H24N2O4S2/c1-3-27(24,25)21-12-6-9-16-10-11-18(13-19(16)21)20-26(22,23)14-17-8-5-4-7-15(17)2/h4-5,7-8,10-11,13,20H,3,6,9,12,14H2,1-2H3
InChIKeyUKTXRSJILSKAAT-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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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide (CID 43990643) is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide is CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccccc3C)cc21.
What is the InChIKey of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is UKTXRSJILSKAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-3-27(24,25)21-12-6-9-16-10-11-18(13-19(16)21)20-26(22,23)14-17-8-5-4-7-15(17)2/h4-5,7-8,10-11,13,20H,3,6,9,12,14H2,1-2H3.
What are the key properties of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide?
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-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-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 43990643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).