N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide

C18H18N2O4S — CID 118933134

IUPACN-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1ccccc1)cc(C)c(=O)n2C
InChIInChI=1S/C18H18N2O4S/c1-12-9-13-10-15(17(24-3)11-16(13)20(2)18(12)21)19-25(22,23)14-7-5-4-6-8-14/h4-11,19H,1-3H3
InChIKeyYPOOJPDFTKZDEW-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.66
Rot. Bonds4

About N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide

N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 118933134) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID118933134
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1ccccc1)cc(C)c(=O)n2C
InChIInChI=1S/C18H18N2O4S/c1-12-9-13-10-15(17(24-3)11-16(13)20(2)18(12)21)19-25(22,23)14-7-5-4-6-8-14/h4-11,19H,1-3H3
InChIKeyYPOOJPDFTKZDEW-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
4-Cyano-N-(7-Methoxy-1,4-Dimethyl-2-Oxo-1,2-Dihydroquinolin-6-Yl)benzene-1-Sulfonamide
CID 118933136
N-(1,3-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)-2-methoxybenzene-1-sulfonamide
CID 71271926
4-cyano-2-methoxy-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118918705
4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzenesulfonamide
CID 118918718
4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide
CID 118918747
4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118918749
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
4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933133
N-[1,4]Dioxan-2-ylmethyl-N-(7-methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-benzenesulfonamide
CID 650399
N-[1,4]Dioxan-2-ylmethyl-4-methoxy-N-(7-methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-benzenesulfonamide
CID 654407

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 118933134) is N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide is COc1cc2c(cc1NS(=O)(=O)c1ccccc1)cc(C)c(=O)n2C.
What is the InChIKey of N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is YPOOJPDFTKZDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-12-9-13-10-15(17(24-3)11-16(13)20(2)18(12)21)19-25(22,23)14-7-5-4-6-8-14/h4-11,19H,1-3H3.
What are the key properties of N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide 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-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 118933134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).