2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide

C6H12N4O3S — CID 79579464

IUPAC2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCO)NCCc1ncn[nH]1
InChIInChI=1S/C6H12N4O3S/c11-3-4-14(12,13)9-2-1-6-7-5-8-10-6/h5,9,11H,1-4H2,(H,7,8,10)
InChIKeyZQGBHZJJHQHEQT-UHFFFAOYSA-N
MW220.25 g/mol
LogP-1.74
Rot. Bonds6

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

2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide (PubChem CID 79579464) has the molecular formula C6H12N4O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
PubChem CID79579464
Molecular FormulaC6H12N4O3S
Molecular Weight220.25 g/mol
Exact Mass220.06
IUPAC Name2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCO)NCCc1ncn[nH]1
InChIInChI=1S/C6H12N4O3S/c11-3-4-14(12,13)9-2-1-6-7-5-8-10-6/h5,9,11H,1-4H2,(H,7,8,10)
InChIKeyZQGBHZJJHQHEQT-UHFFFAOYSA-N
XLogP-1.74
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
CID 79579379
2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 64532031
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 64532096
1-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64523562
3-(propylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-1-sulfonamide
CID 106068101
2-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]propanoic acid
CID 64547817
2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine
CID 114810152
3,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529701
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 64530904
3-methylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64548213
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 64531508

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide (CID 79579464) is 2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide is O=S(=O)(CCO)NCCc1ncn[nH]1.
What is the InChIKey of 2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
The InChIKey is ZQGBHZJJHQHEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3S/c11-3-4-14(12,13)9-2-1-6-7-5-8-10-6/h5,9,11H,1-4H2,(H,7,8,10).
What are the key properties of 2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide has a molecular weight of 220.25 g/mol, XLogP of -1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 79579464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).