N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide

C11H7ClF3N3OS — CID 143309718

IUPACN-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide
SMILESO=S(Nc1nccnc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H7ClF3N3OS/c12-9-10(17-6-5-16-9)18-20(19)8-4-2-1-3-7(8)11(13,14)15/h1-6H,(H,17,18)
InChIKeyAIBDZQXMILNCAP-UHFFFAOYSA-N
MW321.71 g/mol
LogP3.28
Rot. Bonds3

About N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide

N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide (PubChem CID 143309718) has the molecular formula C11H7ClF3N3OS and a molecular weight of 321.71 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide
PubChem CID143309718
Molecular FormulaC11H7ClF3N3OS
Molecular Weight321.71 g/mol
Exact Mass321.00
IUPAC NameN-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide
SMILESO=S(Nc1nccnc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H7ClF3N3OS/c12-9-10(17-6-5-16-9)18-20(19)8-4-2-1-3-7(8)11(13,14)15/h1-6H,(H,17,18)
InChIKeyAIBDZQXMILNCAP-UHFFFAOYSA-N
XLogP3.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide 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 N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide (CID 143309718) is N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide is O=S(Nc1nccnc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide?
The InChIKey is AIBDZQXMILNCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3OS/c12-9-10(17-6-5-16-9)18-20(19)8-4-2-1-3-7(8)11(13,14)15/h1-6H,(H,17,18).
What are the key properties of N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide?
N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide has a molecular weight of 321.71 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide is sourced from PubChem (CID 143309718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).