4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide

C7H6N4O4S2 — CID 90759946

IUPAC4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccsc1)n1cc(O)nn1
InChIInChI=1S/C7H6N4O4S2/c12-6-3-11(10-8-6)7(13)9-17(14,15)5-1-2-16-4-5/h1-4,12H,(H,9,13)
InChIKeyMIRJWFLXHFTAAB-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.01
Rot. Bonds2

About 4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide

4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide (PubChem CID 90759946) has the molecular formula C7H6N4O4S2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide
PubChem CID90759946
Molecular FormulaC7H6N4O4S2
Molecular Weight274.28 g/mol
Exact Mass273.98
IUPAC Name4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccsc1)n1cc(O)nn1
InChIInChI=1S/C7H6N4O4S2/c12-6-3-11(10-8-6)7(13)9-17(14,15)5-1-2-16-4-5/h1-4,12H,(H,9,13)
InChIKeyMIRJWFLXHFTAAB-UHFFFAOYSA-N
XLogP-0.01
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide?
The IUPAC name of 4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide (CID 90759946) is 4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide is O=C(NS(=O)(=O)c1ccsc1)n1cc(O)nn1.
What is the InChIKey of 4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide?
The InChIKey is MIRJWFLXHFTAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O4S2/c12-6-3-11(10-8-6)7(13)9-17(14,15)5-1-2-16-4-5/h1-4,12H,(H,9,13).
What are the key properties of 4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide?
4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide has a molecular weight of 274.28 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-thiophen-3-ylsulfonyltriazole-1-carboxamide is sourced from PubChem (CID 90759946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).