N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide

C20H22N2O4S — CID 110424746

IUPACN,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(=O)c3ccccc32)cc1
InChIInChI=1S/C20H22N2O4S/c1-3-21(4-2)27(25,26)16-11-9-15(10-12-16)20(24)22-14-13-19(23)17-7-5-6-8-18(17)22/h5-12H,3-4,13-14H2,1-2H3
InChIKeyAZKZAUXDQADWCI-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.95
Rot. Bonds5

About N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide

N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide (PubChem CID 110424746) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide
PubChem CID110424746
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(=O)c3ccccc32)cc1
InChIInChI=1S/C20H22N2O4S/c1-3-21(4-2)27(25,26)16-11-9-15(10-12-16)20(24)22-14-13-19(23)17-7-5-6-8-18(17)22/h5-12H,3-4,13-14H2,1-2H3
InChIKeyAZKZAUXDQADWCI-UHFFFAOYSA-N
XLogP2.95
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
4-(2-benzylsulfanyl-4,5-dihydroimidazole-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 4600196
N,N-diethyl-1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 26764981
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
N,N-diethyl-1-[4-(ethylsulfanylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 52696465
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
(2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide
CID 41428851
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 47084013
4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide
CID 25345819
1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one
CID 79975950
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide (CID 110424746) is N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(=O)c3ccccc32)cc1.
What is the InChIKey of N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide?
The InChIKey is AZKZAUXDQADWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-3-21(4-2)27(25,26)16-11-9-15(10-12-16)20(24)22-14-13-19(23)17-7-5-6-8-18(17)22/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide?
N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 110424746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).