3-(benzenesulfonyl)-N-hydroxypentanamide

C11H15NO4S — CID 10753630

IUPAC3-(benzenesulfonyl)-N-hydroxypentanamide
SMILESCCC(CC(=O)NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO4S/c1-2-9(8-11(13)12-14)17(15,16)10-6-4-3-5-7-10/h3-7,9,14H,2,8H2,1H3,(H,12,13)
InChIKeySLHKFUCYZXRECL-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.13
Rot. Bonds5

About 3-(benzenesulfonyl)-N-hydroxypentanamide

3-(benzenesulfonyl)-N-hydroxypentanamide (PubChem CID 10753630) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-hydroxypentanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-hydroxypentanamide
PubChem CID10753630
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name3-(benzenesulfonyl)-N-hydroxypentanamide
SMILESCCC(CC(=O)NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO4S/c1-2-9(8-11(13)12-14)17(15,16)10-6-4-3-5-7-10/h3-7,9,14H,2,8H2,1H3,(H,12,13)
InChIKeySLHKFUCYZXRECL-UHFFFAOYSA-N
XLogP1.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.13
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-hydroxypentanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-hydroxypentanamide (CID 10753630) is 3-(benzenesulfonyl)-N-hydroxypentanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-hydroxypentanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-hydroxypentanamide is CCC(CC(=O)NO)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-hydroxypentanamide?
The InChIKey is SLHKFUCYZXRECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-2-9(8-11(13)12-14)17(15,16)10-6-4-3-5-7-10/h3-7,9,14H,2,8H2,1H3,(H,12,13).
What are the key properties of 3-(benzenesulfonyl)-N-hydroxypentanamide?
3-(benzenesulfonyl)-N-hydroxypentanamide has a molecular weight of 257.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-hydroxypentanamide is sourced from PubChem (CID 10753630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).