3-(benzenesulfonyl)-N-hydroxypropanamide

C9H11NO4S — CID 54131575

IUPAC3-(benzenesulfonyl)-N-hydroxypropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NO
InChIInChI=1S/C9H11NO4S/c11-9(10-12)6-7-15(13,14)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
InChIKeyNUSZCZOBSDRJEK-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.36
Rot. Bonds4

About 3-(benzenesulfonyl)-N-hydroxypropanamide

3-(benzenesulfonyl)-N-hydroxypropanamide (PubChem CID 54131575) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-hydroxypropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-hydroxypropanamide
PubChem CID54131575
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name3-(benzenesulfonyl)-N-hydroxypropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NO
InChIInChI=1S/C9H11NO4S/c11-9(10-12)6-7-15(13,14)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
InChIKeyNUSZCZOBSDRJEK-UHFFFAOYSA-N
XLogP0.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-hydroxypropanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-hydroxypropanamide (CID 54131575) is 3-(benzenesulfonyl)-N-hydroxypropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-hydroxypropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-hydroxypropanamide is O=C(CCS(=O)(=O)c1ccccc1)NO.
What is the InChIKey of 3-(benzenesulfonyl)-N-hydroxypropanamide?
The InChIKey is NUSZCZOBSDRJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c11-9(10-12)6-7-15(13,14)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11).
What are the key properties of 3-(benzenesulfonyl)-N-hydroxypropanamide?
3-(benzenesulfonyl)-N-hydroxypropanamide has a molecular weight of 229.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-hydroxypropanamide is sourced from PubChem (CID 54131575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).