N-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide

C16H9F6N3O2S — CID 126516520

IUPACN-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide
SMILESO=S(Nc1cc(OC(F)(F)F)cc2cccnc12)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H9F6N3O2S/c17-15(18,19)13-4-3-11(8-24-13)28(26)25-12-7-10(27-16(20,21)22)6-9-2-1-5-23-14(9)12/h1-8,25H
InChIKeyYNDVTZCXUFZQRX-UHFFFAOYSA-N
MW421.32 g/mol
LogP4.68
Rot. Bonds4

About N-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide

N-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide (PubChem CID 126516520) has the molecular formula C16H9F6N3O2S and a molecular weight of 421.32 g/mol. Its IUPAC name is N-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide.

Molecular Properties

Compound NameN-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide
PubChem CID126516520
Molecular FormulaC16H9F6N3O2S
Molecular Weight421.32 g/mol
Exact Mass421.03
IUPAC NameN-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide
SMILESO=S(Nc1cc(OC(F)(F)F)cc2cccnc12)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H9F6N3O2S/c17-15(18,19)13-4-3-11(8-24-13)28(26)25-12-7-10(27-16(20,21)22)6-9-2-1-5-23-14(9)12/h1-8,25H
InChIKeyYNDVTZCXUFZQRX-UHFFFAOYSA-N
XLogP4.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide?
The IUPAC name of N-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide (CID 126516520) is N-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide.
What is the SMILES notation for N-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide?
The canonical SMILES for N-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide is O=S(Nc1cc(OC(F)(F)F)cc2cccnc12)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide?
The InChIKey is YNDVTZCXUFZQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N3O2S/c17-15(18,19)13-4-3-11(8-24-13)28(26)25-12-7-10(27-16(20,21)22)6-9-2-1-5-23-14(9)12/h1-8,25H.
What are the key properties of N-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide?
N-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide has a molecular weight of 421.32 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethoxy)quinolin-8-yl]-6-(trifluoromethyl)pyridine-3-sulfinamide is sourced from PubChem (CID 126516520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).