3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide

C16H13FN2O2S — CID 166178750

IUPAC3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc2cccc(NS(=O)(=O)c3cccc(F)c3)c2n1
InChIInChI=1S/C16H13FN2O2S/c1-11-8-9-12-4-2-7-15(16(12)18-11)19-22(20,21)14-6-3-5-13(17)10-14/h2-10,19H,1H3
InChIKeyXOPUJLYMSUURPV-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.48
Rot. Bonds3

About 3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide

3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide (PubChem CID 166178750) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide
PubChem CID166178750
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc2cccc(NS(=O)(=O)c3cccc(F)c3)c2n1
InChIInChI=1S/C16H13FN2O2S/c1-11-8-9-12-4-2-7-15(16(12)18-11)19-22(20,21)14-6-3-5-13(17)10-14/h2-10,19H,1H3
InChIKeyXOPUJLYMSUURPV-UHFFFAOYSA-N
XLogP3.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide (CID 166178750) is 3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide is Cc1ccc2cccc(NS(=O)(=O)c3cccc(F)c3)c2n1.
What is the InChIKey of 3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The InChIKey is XOPUJLYMSUURPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-11-8-9-12-4-2-7-15(16(12)18-11)19-22(20,21)14-6-3-5-13(17)10-14/h2-10,19H,1H3.
What are the key properties of 3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide?
3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide has a molecular weight of 316.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methylquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 166178750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).