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

C16H9F3N4O2S — CID 126516518

IUPAC6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide
SMILESN#Cc1ccc(S(=O)Nc2cc(OC(F)(F)F)cc3cccnc23)cn1
InChIInChI=1S/C16H9F3N4O2S/c17-16(18,19)25-12-6-10-2-1-5-21-15(10)14(7-12)23-26(24)13-4-3-11(8-20)22-9-13/h1-7,9,23H
InChIKeyCIEBQTCZLBMLAD-UHFFFAOYSA-N
MW378.34 g/mol
LogP3.53
Rot. Bonds4

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

6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide (PubChem CID 126516518) has the molecular formula C16H9F3N4O2S and a molecular weight of 378.34 g/mol. Its IUPAC name is 6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide.

Molecular Properties

Compound Name6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide
PubChem CID126516518
Molecular FormulaC16H9F3N4O2S
Molecular Weight378.34 g/mol
Exact Mass378.04
IUPAC Name6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide
SMILESN#Cc1ccc(S(=O)Nc2cc(OC(F)(F)F)cc3cccnc23)cn1
InChIInChI=1S/C16H9F3N4O2S/c17-16(18,19)25-12-6-10-2-1-5-21-15(10)14(7-12)23-26(24)13-4-3-11(8-20)22-9-13/h1-7,9,23H
InChIKeyCIEBQTCZLBMLAD-UHFFFAOYSA-N
XLogP3.53
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide?
The IUPAC name of 6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide (CID 126516518) is 6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide.
What is the SMILES notation for 6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide?
The canonical SMILES for 6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide is N#Cc1ccc(S(=O)Nc2cc(OC(F)(F)F)cc3cccnc23)cn1.
What is the InChIKey of 6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide?
The InChIKey is CIEBQTCZLBMLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4O2S/c17-16(18,19)25-12-6-10-2-1-5-21-15(10)14(7-12)23-26(24)13-4-3-11(8-20)22-9-13/h1-7,9,23H.
What are the key properties of 6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide?
6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide has a molecular weight of 378.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[6-(trifluoromethoxy)quinolin-8-yl]pyridine-3-sulfinamide is sourced from PubChem (CID 126516518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).