N-hydroxy-1H-imidazole-2-sulfonamide

C3H5N3O3S — CID 59030917

IUPACN-hydroxy-1H-imidazole-2-sulfonamide
SMILESO=S(=O)(NO)c1ncc[nH]1
InChIInChI=1S/C3H5N3O3S/c7-6-10(8,9)3-4-1-2-5-3/h1-2,6-7H,(H,4,5)
InChIKeyDOHIQTNQYHIAAS-UHFFFAOYSA-N
MW163.16 g/mol
LogP-0.92
Rot. Bonds2

About N-hydroxy-1H-imidazole-2-sulfonamide

N-hydroxy-1H-imidazole-2-sulfonamide (PubChem CID 59030917) has the molecular formula C3H5N3O3S and a molecular weight of 163.16 g/mol. Its IUPAC name is N-hydroxy-1H-imidazole-2-sulfonamide.

Molecular Properties

Compound NameN-hydroxy-1H-imidazole-2-sulfonamide
PubChem CID59030917
Molecular FormulaC3H5N3O3S
Molecular Weight163.16 g/mol
Exact Mass163.01
IUPAC NameN-hydroxy-1H-imidazole-2-sulfonamide
SMILESO=S(=O)(NO)c1ncc[nH]1
InChIInChI=1S/C3H5N3O3S/c7-6-10(8,9)3-4-1-2-5-3/h1-2,6-7H,(H,4,5)
InChIKeyDOHIQTNQYHIAAS-UHFFFAOYSA-N
XLogP-0.92
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1H-imidazole-2-sulfonamide?
The IUPAC name of N-hydroxy-1H-imidazole-2-sulfonamide (CID 59030917) is N-hydroxy-1H-imidazole-2-sulfonamide.
What is the SMILES notation for N-hydroxy-1H-imidazole-2-sulfonamide?
The canonical SMILES for N-hydroxy-1H-imidazole-2-sulfonamide is O=S(=O)(NO)c1ncc[nH]1.
What is the InChIKey of N-hydroxy-1H-imidazole-2-sulfonamide?
The InChIKey is DOHIQTNQYHIAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O3S/c7-6-10(8,9)3-4-1-2-5-3/h1-2,6-7H,(H,4,5).
What are the key properties of N-hydroxy-1H-imidazole-2-sulfonamide?
N-hydroxy-1H-imidazole-2-sulfonamide has a molecular weight of 163.16 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1H-imidazole-2-sulfonamide is sourced from PubChem (CID 59030917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).