2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide

C8H12F2N4O2S — CID 138041059

IUPAC2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nccnc1C(F)F
InChIInChI=1S/C8H12F2N4O2S/c1-11-17(15,16)5-4-14-8-6(7(9)10)12-2-3-13-8/h2-3,7,11H,4-5H2,1H3,(H,13,14)
InChIKeyQKNDVEYWGIKMGE-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.38
Rot. Bonds6

About 2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide

2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide (PubChem CID 138041059) has the molecular formula C8H12F2N4O2S and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide
PubChem CID138041059
Molecular FormulaC8H12F2N4O2S
Molecular Weight266.27 g/mol
Exact Mass266.06
IUPAC Name2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nccnc1C(F)F
InChIInChI=1S/C8H12F2N4O2S/c1-11-17(15,16)5-4-14-8-6(7(9)10)12-2-3-13-8/h2-3,7,11H,4-5H2,1H3,(H,13,14)
InChIKeyQKNDVEYWGIKMGE-UHFFFAOYSA-N
XLogP0.38
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide 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 2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide (CID 138041059) is 2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1nccnc1C(F)F.
What is the InChIKey of 2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide?
The InChIKey is QKNDVEYWGIKMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O2S/c1-11-17(15,16)5-4-14-8-6(7(9)10)12-2-3-13-8/h2-3,7,11H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide?
2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide has a molecular weight of 266.27 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethyl)pyrazin-2-yl]amino]-N-methylethanesulfonamide is sourced from PubChem (CID 138041059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).