methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate

C24H21ClN2O5S — CID 17248041

IUPACmethyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN2O5S/c1-32-24(29)20-6-2-3-7-21(20)26-33(30,31)19-12-13-22-17(15-19)5-4-14-27(22)23(28)16-8-10-18(25)11-9-16/h2-3,6-13,15,26H,4-5,14H2,1H3
InChIKeyMFELLQUSRTZDKW-UHFFFAOYSA-N
MW484.96 g/mol
LogP4.52
Rot. Bonds5

About methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate

methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate (PubChem CID 17248041) has the molecular formula C24H21ClN2O5S and a molecular weight of 484.96 g/mol. Its IUPAC name is methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate
PubChem CID17248041
Molecular FormulaC24H21ClN2O5S
Molecular Weight484.96 g/mol
Exact Mass484.09
IUPAC Namemethyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN2O5S/c1-32-24(29)20-6-2-3-7-21(20)26-33(30,31)19-12-13-22-17(15-19)5-4-14-27(22)23(28)16-8-10-18(25)11-9-16/h2-3,6-13,15,26H,4-5,14H2,1H3
InChIKeyMFELLQUSRTZDKW-UHFFFAOYSA-N
XLogP4.52
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.96
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate with MolForge

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Related Compounds

1-(4-chlorobenzoyl)-N-(2-ethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248009
1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248022
1-benzoyl-N-(2-benzoyl-4-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247871
1-(4-chlorobenzoyl)-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248002
N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247925
1-(3-chlorobenzoyl)-N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248241
1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248027
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
N-(2-ethylphenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247908
1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247836
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate?
The IUPAC name of methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate (CID 17248041) is methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate?
The InChIKey is MFELLQUSRTZDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O5S/c1-32-24(29)20-6-2-3-7-21(20)26-33(30,31)19-12-13-22-17(15-19)5-4-14-27(22)23(28)16-8-10-18(25)11-9-16/h2-3,6-13,15,26H,4-5,14H2,1H3.
What are the key properties of methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate?
methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate has a molecular weight of 484.96 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate is sourced from PubChem (CID 17248041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).