N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide

C5H8F2N4O3S — CID 104818602

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C5H8F2N4O3S/c1-2-14-5-8-4(9-10-5)11-15(12,13)3(6)7/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeyFYGFCFAXOCZIOM-UHFFFAOYSA-N
MW242.21 g/mol
LogP0.17
Rot. Bonds5

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide (PubChem CID 104818602) has the molecular formula C5H8F2N4O3S and a molecular weight of 242.21 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide
PubChem CID104818602
Molecular FormulaC5H8F2N4O3S
Molecular Weight242.21 g/mol
Exact Mass242.03
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C5H8F2N4O3S/c1-2-14-5-8-4(9-10-5)11-15(12,13)3(6)7/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeyFYGFCFAXOCZIOM-UHFFFAOYSA-N
XLogP0.17
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide (CID 104818602) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide is CCOc1n[nH]c(NS(=O)(=O)C(F)F)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is FYGFCFAXOCZIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4O3S/c1-2-14-5-8-4(9-10-5)11-15(12,13)3(6)7/h3H,2H2,1H3,(H2,8,9,10,11).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 242.21 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 104818602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).