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

C19H17N3O4S — CID 118933133

IUPAC4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1)cc(C)c(=O)n2C
InChIInChI=1S/C19H17N3O4S/c1-12-8-14-9-16(18(26-3)10-17(14)22(2)19(12)23)21-27(24,25)15-6-4-13(11-20)5-7-15/h4-10,21H,1-3H3
InChIKeyXULQOMADHZABKB-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.53
Rot. Bonds4

About 4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide

4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 118933133) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID118933133
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1)cc(C)c(=O)n2C
InChIInChI=1S/C19H17N3O4S/c1-12-8-14-9-16(18(26-3)10-17(14)22(2)19(12)23)21-27(24,25)15-6-4-13(11-20)5-7-15/h4-10,21H,1-3H3
InChIKeyXULQOMADHZABKB-UHFFFAOYSA-N
XLogP2.53
TPSA101.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide with MolForge

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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-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-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzenesulfonamide
CID 118918718
4-cyano-N-(8-fluoro-1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
CID 118918740
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-(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 4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 118933133) is 4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide is COc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1)cc(C)c(=O)n2C.
What is the InChIKey of 4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is XULQOMADHZABKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-12-8-14-9-16(18(26-3)10-17(14)22(2)19(12)23)21-27(24,25)15-6-4-13(11-20)5-7-15/h4-10,21H,1-3H3.
What are the key properties of 4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide has a molecular weight of 383.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 118933133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).