2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide

C15H10ClFN2O2S — CID 75458673

IUPAC2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ncccc2c1)c1c(F)cccc1Cl
InChIInChI=1S/C15H10ClFN2O2S/c16-12-4-1-5-13(17)15(12)22(20,21)19-11-6-7-14-10(9-11)3-2-8-18-14/h1-9,19H
InChIKeyQZBQKSCFXFOAKB-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.83
Rot. Bonds3

About 2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide

2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide (PubChem CID 75458673) has the molecular formula C15H10ClFN2O2S and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide
PubChem CID75458673
Molecular FormulaC15H10ClFN2O2S
Molecular Weight336.78 g/mol
Exact Mass336.01
IUPAC Name2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ncccc2c1)c1c(F)cccc1Cl
InChIInChI=1S/C15H10ClFN2O2S/c16-12-4-1-5-13(17)15(12)22(20,21)19-11-6-7-14-10(9-11)3-2-8-18-14/h1-9,19H
InChIKeyQZBQKSCFXFOAKB-UHFFFAOYSA-N
XLogP3.83
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide (CID 75458673) is 2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide is O=S(=O)(Nc1ccc2ncccc2c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide?
The InChIKey is QZBQKSCFXFOAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2S/c16-12-4-1-5-13(17)15(12)22(20,21)19-11-6-7-14-10(9-11)3-2-8-18-14/h1-9,19H.
What are the key properties of 2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide?
2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide has a molecular weight of 336.78 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide is sourced from PubChem (CID 75458673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).