5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide

C13H8ClF4N3OS — CID 177255063

IUPAC5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCSc1cc(-c2c(F)c(C(N)=O)cc(Cl)c2C(F)(F)F)cnn1
InChIInChI=1S/C13H8ClF4N3OS/c1-23-8-2-5(4-20-21-8)9-10(13(16,17)18)7(14)3-6(11(9)15)12(19)22/h2-4H,1H3,(H2,19,22)
InChIKeyUCODHXDXQDYROU-UHFFFAOYSA-N
MW365.74 g/mol
LogP3.78
Rot. Bonds3

About 5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide

5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 177255063) has the molecular formula C13H8ClF4N3OS and a molecular weight of 365.74 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID177255063
Molecular FormulaC13H8ClF4N3OS
Molecular Weight365.74 g/mol
Exact Mass365.00
IUPAC Name5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCSc1cc(-c2c(F)c(C(N)=O)cc(Cl)c2C(F)(F)F)cnn1
InChIInChI=1S/C13H8ClF4N3OS/c1-23-8-2-5(4-20-21-8)9-10(13(16,17)18)7(14)3-6(11(9)15)12(19)22/h2-4H,1H3,(H2,19,22)
InChIKeyUCODHXDXQDYROU-UHFFFAOYSA-N
XLogP3.78
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide (CID 177255063) is 5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide is CSc1cc(-c2c(F)c(C(N)=O)cc(Cl)c2C(F)(F)F)cnn1.
What is the InChIKey of 5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is UCODHXDXQDYROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4N3OS/c1-23-8-2-5(4-20-21-8)9-10(13(16,17)18)7(14)3-6(11(9)15)12(19)22/h2-4H,1H3,(H2,19,22).
What are the key properties of 5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide?
5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 365.74 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 177255063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).