5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide

C9H10N4O3S2 — CID 114135529

IUPAC5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nccnn1)c1ccc(CCO)s1
InChIInChI=1S/C9H10N4O3S2/c14-6-3-7-1-2-8(17-7)18(15,16)13-9-10-4-5-11-12-9/h1-2,4-5,14H,3,6H2,(H,10,12,13)
InChIKeyONMJIWVEXLCESR-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.27
Rot. Bonds5

About 5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide

5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide (PubChem CID 114135529) has the molecular formula C9H10N4O3S2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
PubChem CID114135529
Molecular FormulaC9H10N4O3S2
Molecular Weight286.34 g/mol
Exact Mass286.02
IUPAC Name5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nccnn1)c1ccc(CCO)s1
InChIInChI=1S/C9H10N4O3S2/c14-6-3-7-1-2-8(17-7)18(15,16)13-9-10-4-5-11-12-9/h1-2,4-5,14H,3,6H2,(H,10,12,13)
InChIKeyONMJIWVEXLCESR-UHFFFAOYSA-N
XLogP0.27
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-hydroxyethyl)-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
CID 105975264
5-(hydroxymethyl)-4-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
CID 105992682
2-(hydroxymethyl)-N-(1,2,4-triazin-3-yl)-1-benzothiophene-3-sulfonamide
CID 105992687
5-(hydroxymethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide
CID 105992708
5-(hydroxymethyl)-2-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide
CID 105992709
2-(hydroxymethyl)-4-methyl-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide
CID 105992743
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 105993134
5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide
CID 106081887
5-[2-(ethylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
CID 106081920
5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
CID 106082010
5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
CID 106082094
5-cyano-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
CID 106269174

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide (CID 114135529) is 5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1nccnn1)c1ccc(CCO)s1.
What is the InChIKey of 5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is ONMJIWVEXLCESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S2/c14-6-3-7-1-2-8(17-7)18(15,16)13-9-10-4-5-11-12-9/h1-2,4-5,14H,3,6H2,(H,10,12,13).
What are the key properties of 5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 286.34 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114135529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).