4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide

C21H28N2O5S2 — CID 43990641

IUPAC4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide
SMILESCCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)CC)CCC3)cc1C
InChIInChI=1S/C21H28N2O5S2/c1-5-28-21-15(3)12-19(13-16(21)4)30(26,27)22-18-10-9-17-8-7-11-23(20(17)14-18)29(24,25)6-2/h9-10,12-14,22H,5-8,11H2,1-4H3
InChIKeyYZOGOCFROIADCY-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.61
Rot. Bonds7

About 4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide

4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide (PubChem CID 43990641) has the molecular formula C21H28N2O5S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide
PubChem CID43990641
Molecular FormulaC21H28N2O5S2
Molecular Weight452.60 g/mol
Exact Mass452.14
IUPAC Name4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide
SMILESCCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)CC)CCC3)cc1C
InChIInChI=1S/C21H28N2O5S2/c1-5-28-21-15(3)12-19(13-16(21)4)30(26,27)22-18-10-9-17-8-7-11-23(20(17)14-18)29(24,25)6-2/h9-10,12-14,22H,5-8,11H2,1-4H3
InChIKeyYZOGOCFROIADCY-UHFFFAOYSA-N
XLogP3.61
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963050
4-ethyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963035
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 20963062
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)-1-(2-methylphenyl)methanesulfonamide
CID 43990643
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide
CID 42448641
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide
CID 27656188
N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide
CID 16835489
4-ethoxy-3,5-dimethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide
CID 90524927
4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide
CID 43990298
5-chloro-2-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 42448604
2-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990514

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide (CID 43990641) is 4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide is CCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)CC)CCC3)cc1C.
What is the InChIKey of 4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide?
The InChIKey is YZOGOCFROIADCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S2/c1-5-28-21-15(3)12-19(13-16(21)4)30(26,27)22-18-10-9-17-8-7-11-23(20(17)14-18)29(24,25)6-2/h9-10,12-14,22H,5-8,11H2,1-4H3.
What are the key properties of 4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide?
4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide has a molecular weight of 452.60 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43990641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).