4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide

C16H17FN2O3S — CID 131645543

IUPAC4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide
SMILESCn1c2c(ccc1=O)CC(NS(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C16H17FN2O3S/c1-19-15-8-5-13(10-11(15)2-9-16(19)20)18-23(21,22)14-6-3-12(17)4-7-14/h2-4,6-7,9,13,18H,5,8,10H2,1H3
InChIKeyYRRQUBPXZTVFNZ-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.36
Rot. Bonds3

About 4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide

4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide (PubChem CID 131645543) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide
PubChem CID131645543
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide
SMILESCn1c2c(ccc1=O)CC(NS(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C16H17FN2O3S/c1-19-15-8-5-13(10-11(15)2-9-16(19)20)18-23(21,22)14-6-3-12(17)4-7-14/h2-4,6-7,9,13,18H,5,8,10H2,1H3
InChIKeyYRRQUBPXZTVFNZ-UHFFFAOYSA-N
XLogP1.36
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide (CID 131645543) is 4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide is Cn1c2c(ccc1=O)CC(NS(=O)(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of 4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide?
The InChIKey is YRRQUBPXZTVFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-19-15-8-5-13(10-11(15)2-9-16(19)20)18-23(21,22)14-6-3-12(17)4-7-14/h2-4,6-7,9,13,18H,5,8,10H2,1H3.
What are the key properties of 4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide?
4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide has a molecular weight of 336.39 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 131645543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).