1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C21H25ClN2O4S — CID 55435199

IUPAC1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1ccccc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-3-23(4-2)29(26,27)17-11-12-19-16(14-17)8-7-13-24(19)21(25)15-28-20-10-6-5-9-18(20)22/h5-6,9-12,14H,3-4,7-8,13,15H2,1-2H3
InChIKeyMTQWXOIJSNFIPN-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.73
Rot. Bonds7

About 1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55435199) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55435199
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1ccccc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-3-23(4-2)29(26,27)17-11-12-19-16(14-17)8-7-13-24(19)21(25)15-28-20-10-6-5-9-18(20)22/h5-6,9-12,14H,3-4,7-8,13,15H2,1-2H3
InChIKeyMTQWXOIJSNFIPN-UHFFFAOYSA-N
XLogP3.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

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Related Compounds

1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435322
2-(2-chlorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24655671
1-[2-(4-acetylphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435508
N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55448495
2-(2,3-dichlorophenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24526023
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134031013
N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 26765658
2-(2-tert-butylphenoxy)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55661331
1-(2-cyclopentyloxyacetyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 47046893
1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea
CID 55435420
1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435178

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55435199) is 1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is MTQWXOIJSNFIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-3-23(4-2)29(26,27)17-11-12-19-16(14-17)8-7-13-24(19)21(25)15-28-20-10-6-5-9-18(20)22/h5-6,9-12,14H,3-4,7-8,13,15H2,1-2H3.
What are the key properties of 1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 436.96 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55435199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).