N-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide

C16H11F3N2O2S — CID 3675691

IUPACN-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cccc2cccnc12
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)12-6-8-13(9-7-12)21-24(22,23)14-5-1-3-11-4-2-10-20-15(11)14/h1-10,21H
InChIKeyDIGKVHPHOYKNOU-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.05
Rot. Bonds3

About N-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide

N-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide (PubChem CID 3675691) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide
PubChem CID3675691
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC NameN-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cccc2cccnc12
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)12-6-8-13(9-7-12)21-24(22,23)14-5-1-3-11-4-2-10-20-15(11)14/h1-10,21H
InChIKeyDIGKVHPHOYKNOU-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-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide (CID 3675691) is N-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cccc2cccnc12.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide?
The InChIKey is DIGKVHPHOYKNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c17-16(18,19)12-6-8-13(9-7-12)21-24(22,23)14-5-1-3-11-4-2-10-20-15(11)14/h1-10,21H.
What are the key properties of N-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide?
N-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide 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-[4-(trifluoromethyl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 3675691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).