2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide

C15H19N3O7S — CID 86344635

IUPAC2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide
SMILESCCCC(C)(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)C(=O)NO
InChIInChI=1S/C15H19N3O7S/c1-3-9-15(2,14(19)16-20)10-24-12-13(18(21)25-17-12)26(22,23)11-7-5-4-6-8-11/h4-8,20H,3,9-10H2,1-2H3,(H,16,19)
InChIKeyQEPLYGRLRUAYII-UHFFFAOYSA-N
MW385.40 g/mol
LogP0.83
Rot. Bonds8

About 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide

2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide (PubChem CID 86344635) has the molecular formula C15H19N3O7S and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide.

Molecular Properties

Compound Name2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide
PubChem CID86344635
Molecular FormulaC15H19N3O7S
Molecular Weight385.40 g/mol
Exact Mass385.09
IUPAC Name2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide
SMILESCCCC(C)(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)C(=O)NO
InChIInChI=1S/C15H19N3O7S/c1-3-9-15(2,14(19)16-20)10-24-12-13(18(21)25-17-12)26(22,23)11-7-5-4-6-8-11/h4-8,20H,3,9-10H2,1-2H3,(H,16,19)
InChIKeyQEPLYGRLRUAYII-UHFFFAOYSA-N
XLogP0.83
TPSA145.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide?
The IUPAC name of 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide (CID 86344635) is 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide.
What is the SMILES notation for 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide?
The canonical SMILES for 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide is CCCC(C)(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)C(=O)NO.
What is the InChIKey of 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide?
The InChIKey is QEPLYGRLRUAYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O7S/c1-3-9-15(2,14(19)16-20)10-24-12-13(18(21)25-17-12)26(22,23)11-7-5-4-6-8-11/h4-8,20H,3,9-10H2,1-2H3,(H,16,19).
What are the key properties of 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide?
2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide has a molecular weight of 385.40 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxymethyl]-N-hydroxy-2-methylpentanamide is sourced from PubChem (CID 86344635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).