N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide

C18H17FN2O3S — CID 110325328

IUPACN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCc1cc(C)c2[nH]c(=O)c(CNS(=O)(=O)c3ccc(F)cc3)cc2c1
InChIInChI=1S/C18H17FN2O3S/c1-11-7-12(2)17-13(8-11)9-14(18(22)21-17)10-20-25(23,24)16-5-3-15(19)4-6-16/h3-9,20H,10H2,1-2H3,(H,21,22)
InChIKeyYGZGJYLHCIJSDV-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.76
Rot. Bonds4

About N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 110325328) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID110325328
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCc1cc(C)c2[nH]c(=O)c(CNS(=O)(=O)c3ccc(F)cc3)cc2c1
InChIInChI=1S/C18H17FN2O3S/c1-11-7-12(2)17-13(8-11)9-14(18(22)21-17)10-20-25(23,24)16-5-3-15(19)4-6-16/h3-9,20H,10H2,1-2H3,(H,21,22)
InChIKeyYGZGJYLHCIJSDV-UHFFFAOYSA-N
XLogP2.76
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110325332
5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide
CID 110325345
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110326320
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide
CID 110325324
2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324455
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 110325519
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
CID 110326306
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324686
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluorobenzamide
CID 110325266
3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 110325232
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide (CID 110325328) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide is Cc1cc(C)c2[nH]c(=O)c(CNS(=O)(=O)c3ccc(F)cc3)cc2c1.
What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is YGZGJYLHCIJSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-11-7-12(2)17-13(8-11)9-14(18(22)21-17)10-20-25(23,24)16-5-3-15(19)4-6-16/h3-9,20H,10H2,1-2H3,(H,21,22).
What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide?
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 360.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 110325328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).