3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide

C15H15NO4S — CID 10756964

IUPAC3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)S(=O)(=O)c1ccccc1)NO
InChIInChI=1S/C15H15NO4S/c17-15(16-18)11-14(12-7-3-1-4-8-12)21(19,20)13-9-5-2-6-10-13/h1-10,14,18H,11H2,(H,16,17)
InChIKeyDBBYZCJEUFNBQJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.10
Rot. Bonds5

About 3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide

3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide (PubChem CID 10756964) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide
PubChem CID10756964
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)S(=O)(=O)c1ccccc1)NO
InChIInChI=1S/C15H15NO4S/c17-15(16-18)11-14(12-7-3-1-4-8-12)21(19,20)13-9-5-2-6-10-13/h1-10,14,18H,11H2,(H,16,17)
InChIKeyDBBYZCJEUFNBQJ-UHFFFAOYSA-N
XLogP2.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.10
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-hydroxy-3-phenylpropanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide (CID 10756964) is 3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide is O=C(CC(c1ccccc1)S(=O)(=O)c1ccccc1)NO.
What is the InChIKey of 3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide?
The InChIKey is DBBYZCJEUFNBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-15(16-18)11-14(12-7-3-1-4-8-12)21(19,20)13-9-5-2-6-10-13/h1-10,14,18H,11H2,(H,16,17).
What are the key properties of 3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide?
3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide has a molecular weight of 305.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 10756964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).