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

C7H14N4O3S — CID 104818644

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)C(C)C)n1
InChIInChI=1S/C7H14N4O3S/c1-4-14-7-8-6(9-10-7)11-15(12,13)5(2)3/h5H,4H2,1-3H3,(H2,8,9,10,11)
InChIKeyBQMMMAJJJHSDAV-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.35
Rot. Bonds5

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

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide (PubChem CID 104818644) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide
PubChem CID104818644
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)C(C)C)n1
InChIInChI=1S/C7H14N4O3S/c1-4-14-7-8-6(9-10-7)11-15(12,13)5(2)3/h5H,4H2,1-3H3,(H2,8,9,10,11)
InChIKeyBQMMMAJJJHSDAV-UHFFFAOYSA-N
XLogP0.35
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.35
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)propane-2-sulfonamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide (CID 104818644) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide is CCOc1n[nH]c(NS(=O)(=O)C(C)C)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide?
The InChIKey is BQMMMAJJJHSDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3S/c1-4-14-7-8-6(9-10-7)11-15(12,13)5(2)3/h5H,4H2,1-3H3,(H2,8,9,10,11).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide has a molecular weight of 234.28 g/mol, XLogP of 0.35, 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)propane-2-sulfonamide is sourced from PubChem (CID 104818644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).