N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide

C18H18N2O4S — CID 71271926

IUPACN-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C
InChIInChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3
InChIKeyQFOYNDFIBXQVIO-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.66
Rot. Bonds4

About N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide

N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide (PubChem CID 71271926) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
PubChem CID71271926
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C
InChIInChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3
InChIKeyQFOYNDFIBXQVIO-UHFFFAOYSA-N
XLogP2.66
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

NI-57
CID 91827373
Pfi-1
CID 71271629
(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155521462
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 2878889
4-Methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-sulfonamide
CID 71271805
3-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide
CID 71272103
4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
CID 118918689
4-cyano-2-methoxy-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118918705
4-cyano-N-(8-fluoro-1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
CID 118918740
4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxy-N-methylbenzenesulfonamide
CID 118918753
4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118932975
N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118932979

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide (CID 71271926) is N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide?
The InChIKey is QFOYNDFIBXQVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide?
N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 71271926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).