1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide

C5H8F2N4O2S — CID 64530110

IUPAC1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(NCCc1ncn[nH]1)C(F)F
InChIInChI=1S/C5H8F2N4O2S/c6-5(7)14(12,13)10-2-1-4-8-3-9-11-4/h3,5,10H,1-2H2,(H,8,9,11)
InChIKeyPXBLQZCNWDWQNG-UHFFFAOYSA-N
MW226.21 g/mol
LogP-0.51
Rot. Bonds5

About 1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide

1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide (PubChem CID 64530110) has the molecular formula C5H8F2N4O2S and a molecular weight of 226.21 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
PubChem CID64530110
Molecular FormulaC5H8F2N4O2S
Molecular Weight226.21 g/mol
Exact Mass226.03
IUPAC Name1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(NCCc1ncn[nH]1)C(F)F
InChIInChI=1S/C5H8F2N4O2S/c6-5(7)14(12,13)10-2-1-4-8-3-9-11-4/h3,5,10H,1-2H2,(H,8,9,11)
InChIKeyPXBLQZCNWDWQNG-UHFFFAOYSA-N
XLogP-0.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide 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 1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide (CID 64530110) is 1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide is O=S(=O)(NCCc1ncn[nH]1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide?
The InChIKey is PXBLQZCNWDWQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4O2S/c6-5(7)14(12,13)10-2-1-4-8-3-9-11-4/h3,5,10H,1-2H2,(H,8,9,11).
What are the key properties of 1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide?
1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide has a molecular weight of 226.21 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 64530110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).