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

C7H14N4O4S — CID 104818517

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)CCOC)n1
InChIInChI=1S/C7H14N4O4S/c1-3-15-7-8-6(9-10-7)11-16(12,13)5-4-14-2/h3-5H2,1-2H3,(H2,8,9,10,11)
InChIKeyIBRFLXWOQVQLDG-UHFFFAOYSA-N
MW250.28 g/mol
LogP-0.41
Rot. Bonds7

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

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide (PubChem CID 104818517) has the molecular formula C7H14N4O4S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide
PubChem CID104818517
Molecular FormulaC7H14N4O4S
Molecular Weight250.28 g/mol
Exact Mass250.07
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)CCOC)n1
InChIInChI=1S/C7H14N4O4S/c1-3-15-7-8-6(9-10-7)11-16(12,13)5-4-14-2/h3-5H2,1-2H3,(H2,8,9,10,11)
InChIKeyIBRFLXWOQVQLDG-UHFFFAOYSA-N
XLogP-0.41
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide (CID 104818517) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide is CCOc1n[nH]c(NS(=O)(=O)CCOC)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide?
The InChIKey is IBRFLXWOQVQLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O4S/c1-3-15-7-8-6(9-10-7)11-16(12,13)5-4-14-2/h3-5H2,1-2H3,(H2,8,9,10,11).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide has a molecular weight of 250.28 g/mol, XLogP of -0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 104818517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).