4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

C19H17N3O4S — CID 118918749

IUPAC4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCCOc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H17N3O4S/c1-3-26-18-11-17-14(6-9-19(23)22(17)2)10-16(18)21-27(24,25)15-7-4-13(12-20)5-8-15/h4-11,21H,3H2,1-2H3
InChIKeyBTMUHVSFZMDHPK-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.61
Rot. Bonds5

About 4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 118918749) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID118918749
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCCOc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H17N3O4S/c1-3-26-18-11-17-14(6-9-19(23)22(17)2)10-16(18)21-27(24,25)15-7-4-13(12-20)5-8-15/h4-11,21H,3H2,1-2H3
InChIKeyBTMUHVSFZMDHPK-UHFFFAOYSA-N
XLogP2.61
TPSA101.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyano-N-(7-ethoxy-1-methyl-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
N1-[3-(3-{[(4-cyanophenyl)sulfonyl]amino}propoxy)phenyl]acetamide
CID 2802630
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-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-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933134

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 118918749) is 4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is CCOc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is BTMUHVSFZMDHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-3-26-18-11-17-14(6-9-19(23)22(17)2)10-16(18)21-27(24,25)15-7-4-13(12-20)5-8-15/h4-11,21H,3H2,1-2H3.
What are the key properties of 4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide has a molecular weight of 383.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(7-ethoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 118918749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).