3-(benzenesulfonyl)-N-hydroxyoctanamide

C14H21NO4S — CID 10756583

IUPAC3-(benzenesulfonyl)-N-hydroxyoctanamide
SMILESCCCCCC(CC(=O)NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO4S/c1-2-3-5-10-13(11-14(16)15-17)20(18,19)12-8-6-4-7-9-12/h4,6-9,13,17H,2-3,5,10-11H2,1H3,(H,15,16)
InChIKeyWVZZALQGSXSJLB-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.30
Rot. Bonds8

About 3-(benzenesulfonyl)-N-hydroxyoctanamide

3-(benzenesulfonyl)-N-hydroxyoctanamide (PubChem CID 10756583) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-hydroxyoctanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-hydroxyoctanamide
PubChem CID10756583
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name3-(benzenesulfonyl)-N-hydroxyoctanamide
SMILESCCCCCC(CC(=O)NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO4S/c1-2-3-5-10-13(11-14(16)15-17)20(18,19)12-8-6-4-7-9-12/h4,6-9,13,17H,2-3,5,10-11H2,1H3,(H,15,16)
InChIKeyWVZZALQGSXSJLB-UHFFFAOYSA-N
XLogP2.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hydroxyoctanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-hydroxyoctanamide (CID 10756583) is 3-(benzenesulfonyl)-N-hydroxyoctanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-hydroxyoctanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-hydroxyoctanamide is CCCCCC(CC(=O)NO)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-hydroxyoctanamide?
The InChIKey is WVZZALQGSXSJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-2-3-5-10-13(11-14(16)15-17)20(18,19)12-8-6-4-7-9-12/h4,6-9,13,17H,2-3,5,10-11H2,1H3,(H,15,16).
What are the key properties of 3-(benzenesulfonyl)-N-hydroxyoctanamide?
3-(benzenesulfonyl)-N-hydroxyoctanamide has a molecular weight of 299.39 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-hydroxyoctanamide is sourced from PubChem (CID 10756583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).