4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide

C20H19N3O4S — CID 118918747

IUPAC4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide
SMILESCC(C)Oc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H19N3O4S/c1-13(2)27-19-11-18-15(6-9-20(24)23(18)3)10-17(19)22-28(25,26)16-7-4-14(12-21)5-8-16/h4-11,13,22H,1-3H3
InChIKeyVEDQFFLLEHNIDG-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.00
Rot. Bonds5

About 4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide

4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide (PubChem CID 118918747) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide
PubChem CID118918747
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide
SMILESCC(C)Oc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H19N3O4S/c1-13(2)27-19-11-18-15(6-9-20(24)23(18)3)10-17(19)22-28(25,26)16-7-4-14(12-21)5-8-16/h4-11,13,22H,1-3H3
InChIKeyVEDQFFLLEHNIDG-UHFFFAOYSA-N
XLogP3.00
TPSA101.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-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-(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-(7-methoxy-1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933134
N-[1,4]Dioxan-2-ylmethyl-N-(7-methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-benzenesulfonamide
CID 650399

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide (CID 118918747) is 4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide is CC(C)Oc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide?
The InChIKey is VEDQFFLLEHNIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-13(2)27-19-11-18-15(6-9-20(24)23(18)3)10-17(19)22-28(25,26)16-7-4-14(12-21)5-8-16/h4-11,13,22H,1-3H3.
What are the key properties of 4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide?
4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide has a molecular weight of 397.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1-methyl-2-oxo-7-propan-2-yloxyquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 118918747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).