5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide

C6H8N6O2S — CID 63564834

IUPAC5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ncc[nH]1
InChIInChI=1S/C6H8N6O2S/c7-5-4(3-10-11-5)15(13,14)12-6-8-1-2-9-6/h1-3H,(H3,7,10,11)(H2,8,9,12)
InChIKeyJXHYQLNPOUMBCL-UHFFFAOYSA-N
MW228.24 g/mol
LogP-0.48
Rot. Bonds3

About 5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide

5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 63564834) has the molecular formula C6H8N6O2S and a molecular weight of 228.24 g/mol. Its IUPAC name is 5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID63564834
Molecular FormulaC6H8N6O2S
Molecular Weight228.24 g/mol
Exact Mass228.04
IUPAC Name5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ncc[nH]1
InChIInChI=1S/C6H8N6O2S/c7-5-4(3-10-11-5)15(13,14)12-6-8-1-2-9-6/h1-3H,(H3,7,10,11)(H2,8,9,12)
InChIKeyJXHYQLNPOUMBCL-UHFFFAOYSA-N
XLogP-0.48
TPSA129.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide (CID 63564834) is 5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1ncc[nH]1.
What is the InChIKey of 5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is JXHYQLNPOUMBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O2S/c7-5-4(3-10-11-5)15(13,14)12-6-8-1-2-9-6/h1-3H,(H3,7,10,11)(H2,8,9,12).
What are the key properties of 5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 228.24 g/mol, XLogP of -0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63564834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).