N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C18H19ClN2O4S — CID 8797974

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H19ClN2O4S/c1-21(10-11-25-15-5-3-14(19)4-6-15)26(23,24)16-7-8-17-13(12-16)2-9-18(22)20-17/h3-8,12H,2,9-11H2,1H3,(H,20,22)
InChIKeyIHQASCHHYMYDMA-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 8797974) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID8797974
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H19ClN2O4S/c1-21(10-11-25-15-5-3-14(19)4-6-15)26(23,24)16-7-8-17-13(12-16)2-9-18(22)20-17/h3-8,12H,2,9-11H2,1H3,(H,20,22)
InChIKeyIHQASCHHYMYDMA-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide 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

1,4-dichlorobenzene;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88753256
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3239722
N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide
CID 31905955
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetate
CID 71898874
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-ethoxybenzenesulfonate
CID 31112479
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31641805
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N,N-bis(2-methylpropyl)acetamide
CID 20862469
6-[4-(4-tert-butylphenyl)sulfonylbutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 70558157
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 8797974) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is CN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is IHQASCHHYMYDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-21(10-11-25-15-5-3-14(19)4-6-15)26(23,24)16-7-8-17-13(12-16)2-9-18(22)20-17/h3-8,12H,2,9-11H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 394.88 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 8797974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).