N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide

C16H11F3N2O2S — CID 8823713

IUPACN-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cccnc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)12-6-8-13(9-7-12)24(22,23)21-14-5-1-3-11-4-2-10-20-15(11)14/h1-10,21H
InChIKeyIBDSXVFPRIUUIS-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.05
Rot. Bonds3

About N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide

N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 8823713) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID8823713
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC NameN-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cccnc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)12-6-8-13(9-7-12)24(22,23)21-14-5-1-3-11-4-2-10-20-15(11)14/h1-10,21H
InChIKeyIBDSXVFPRIUUIS-UHFFFAOYSA-N
XLogP4.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide (CID 8823713) is N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc2cccnc12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IBDSXVFPRIUUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c17-16(18,19)12-6-8-13(9-7-12)24(22,23)21-14-5-1-3-11-4-2-10-20-15(11)14/h1-10,21H.
What are the key properties of N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide?
N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 352.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 8823713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).