6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide

C15H9ClF3N3O2S — CID 171466436

IUPAC6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc2cccnc12)c1ccc(Cl)nc1C(F)(F)F
InChIInChI=1S/C15H9ClF3N3O2S/c16-12-7-6-11(14(21-12)15(17,18)19)25(23,24)22-10-5-1-3-9-4-2-8-20-13(9)10/h1-8,22H
InChIKeyLXIXLWALPZSDLR-UHFFFAOYSA-N
MW387.77 g/mol
LogP4.10
Rot. Bonds3

About 6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide

6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 171466436) has the molecular formula C15H9ClF3N3O2S and a molecular weight of 387.77 g/mol. Its IUPAC name is 6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID171466436
Molecular FormulaC15H9ClF3N3O2S
Molecular Weight387.77 g/mol
Exact Mass387.01
IUPAC Name6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc2cccnc12)c1ccc(Cl)nc1C(F)(F)F
InChIInChI=1S/C15H9ClF3N3O2S/c16-12-7-6-11(14(21-12)15(17,18)19)25(23,24)22-10-5-1-3-9-4-2-8-20-13(9)10/h1-8,22H
InChIKeyLXIXLWALPZSDLR-UHFFFAOYSA-N
XLogP4.10
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 24629216
4-methyl-N-quinolin-8-yl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 171466493
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide
CID 150376480
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide
CID 126516495
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
6-amino-N-quinolin-8-ylpyridine-3-sulfonamide
CID 62164738
dimethyl 2-(quinolin-8-ylsulfamoyl)benzene-1,4-dicarboxylate
CID 24502183
2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 76506701
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide (CID 171466436) is 6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide is O=S(=O)(Nc1cccc2cccnc12)c1ccc(Cl)nc1C(F)(F)F.
What is the InChIKey of 6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is LXIXLWALPZSDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O2S/c16-12-7-6-11(14(21-12)15(17,18)19)25(23,24)22-10-5-1-3-9-4-2-8-20-13(9)10/h1-8,22H.
What are the key properties of 6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide?
6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 387.77 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 171466436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).