3-(benzenesulfonyl)-N-hydroxybutanamide

C10H13NO4S — CID 10847809

IUPAC3-(benzenesulfonyl)-N-hydroxybutanamide
SMILESCC(CC(=O)NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO4S/c1-8(7-10(12)11-13)16(14,15)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H,11,12)
InChIKeyRZIODPWMWSHESZ-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.74
Rot. Bonds4

About 3-(benzenesulfonyl)-N-hydroxybutanamide

3-(benzenesulfonyl)-N-hydroxybutanamide (PubChem CID 10847809) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-hydroxybutanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-hydroxybutanamide
PubChem CID10847809
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name3-(benzenesulfonyl)-N-hydroxybutanamide
SMILESCC(CC(=O)NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO4S/c1-8(7-10(12)11-13)16(14,15)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H,11,12)
InChIKeyRZIODPWMWSHESZ-UHFFFAOYSA-N
XLogP0.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.74
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-hydroxybutanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-hydroxybutanamide (CID 10847809) is 3-(benzenesulfonyl)-N-hydroxybutanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-hydroxybutanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-hydroxybutanamide is CC(CC(=O)NO)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-hydroxybutanamide?
The InChIKey is RZIODPWMWSHESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-8(7-10(12)11-13)16(14,15)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H,11,12).
What are the key properties of 3-(benzenesulfonyl)-N-hydroxybutanamide?
3-(benzenesulfonyl)-N-hydroxybutanamide has a molecular weight of 243.28 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-hydroxybutanamide is sourced from PubChem (CID 10847809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).