N-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide

C22H17FN2O2S — CID 135069338

IUPACN-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nc3ccc(F)cc23)cc1
InChIInChI=1S/C22H17FN2O2S/c1-15-7-10-18(11-8-15)28(26,27)25-22-14-21(16-5-3-2-4-6-16)24-20-12-9-17(23)13-19(20)22/h2-14H,1H3,(H,24,25)
InChIKeyOGYXVQZIWMPZFR-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.15
Rot. Bonds4

About N-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide

N-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide (PubChem CID 135069338) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide
PubChem CID135069338
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC NameN-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nc3ccc(F)cc23)cc1
InChIInChI=1S/C22H17FN2O2S/c1-15-7-10-18(11-8-15)28(26,27)25-22-14-21(16-5-3-2-4-6-16)24-20-12-9-17(23)13-19(20)22/h2-14H,1H3,(H,24,25)
InChIKeyOGYXVQZIWMPZFR-UHFFFAOYSA-N
XLogP5.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide (CID 135069338) is N-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nc3ccc(F)cc23)cc1.
What is the InChIKey of N-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is OGYXVQZIWMPZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c1-15-7-10-18(11-8-15)28(26,27)25-22-14-21(16-5-3-2-4-6-16)24-20-12-9-17(23)13-19(20)22/h2-14H,1H3,(H,24,25).
What are the key properties of N-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide?
N-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 392.46 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 135069338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).