1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide

C18H17ClN2O4S — CID 110324969

IUPAC1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
SMILESCOc1ccc2[nH]c(=O)c(CNS(=O)(=O)Cc3ccccc3Cl)cc2c1
InChIInChI=1S/C18H17ClN2O4S/c1-25-15-6-7-17-13(9-15)8-14(18(22)21-17)10-20-26(23,24)11-12-4-2-3-5-16(12)19/h2-9,20H,10-11H2,1H3,(H,21,22)
InChIKeyXIIBJWHHWRUNOR-UHFFFAOYSA-N
MW392.86 g/mol
LogP2.81
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide

1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide (PubChem CID 110324969) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
PubChem CID110324969
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
SMILESCOc1ccc2[nH]c(=O)c(CNS(=O)(=O)Cc3ccccc3Cl)cc2c1
InChIInChI=1S/C18H17ClN2O4S/c1-25-15-6-7-17-13(9-15)8-14(18(22)21-17)10-20-26(23,24)11-12-4-2-3-5-16(12)19/h2-9,20H,10-11H2,1H3,(H,21,22)
InChIKeyXIIBJWHHWRUNOR-UHFFFAOYSA-N
XLogP2.81
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide with MolForge

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Related Compounds

3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 25318984
2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110324907
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 110324955
N-[(2-chlorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459093
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]propane-1-sulfonamide
CID 110326068
3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one
CID 18525193
1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110324844
5-ethyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide
CID 110324960
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324686
1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide
CID 110325870
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide (CID 110324969) is 1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide is COc1ccc2[nH]c(=O)c(CNS(=O)(=O)Cc3ccccc3Cl)cc2c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The InChIKey is XIIBJWHHWRUNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-25-15-6-7-17-13(9-15)8-14(18(22)21-17)10-20-26(23,24)11-12-4-2-3-5-16(12)19/h2-9,20H,10-11H2,1H3,(H,21,22).
What are the key properties of 1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide has a molecular weight of 392.86 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110324969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).