N-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide

C16H10F4N2O2S — CID 134143162

IUPACN-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc2cccnc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F4N2O2S/c17-12-8-10-2-1-7-21-15(10)14(9-12)22-25(23,24)13-5-3-11(4-6-13)16(18,19)20/h1-9,22H
InChIKeyXCFUXQYEWNHANX-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.19
Rot. Bonds3

About N-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 134143162) has the molecular formula C16H10F4N2O2S and a molecular weight of 370.33 g/mol. Its IUPAC name is N-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID134143162
Molecular FormulaC16H10F4N2O2S
Molecular Weight370.33 g/mol
Exact Mass370.04
IUPAC NameN-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc2cccnc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F4N2O2S/c17-12-8-10-2-1-7-21-15(10)14(9-12)22-25(23,24)13-5-3-11(4-6-13)16(18,19)20/h1-9,22H
InChIKeyXCFUXQYEWNHANX-UHFFFAOYSA-N
XLogP4.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 134143162) is N-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc(F)cc2cccnc12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XCFUXQYEWNHANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O2S/c17-12-8-10-2-1-7-21-15(10)14(9-12)22-25(23,24)13-5-3-11(4-6-13)16(18,19)20/h1-9,22H.
What are the key properties of N-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 370.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoroquinolin-8-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134143162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).