(E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide

C10H11NO4S — CID 118726025

IUPAC(E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide
SMILESCS(=O)(=O)c1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C10H11NO4S/c1-16(14,15)9-5-2-8(3-6-9)4-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-4+
InChIKeyAWFYCVJWAOVQFE-QPJJXVBHSA-N
MW241.27 g/mol
LogP0.61
Rot. Bonds3

About (E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide

(E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide (PubChem CID 118726025) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide
PubChem CID118726025
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name(E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide
SMILESCS(=O)(=O)c1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C10H11NO4S/c1-16(14,15)9-5-2-8(3-6-9)4-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-4+
InChIKeyAWFYCVJWAOVQFE-QPJJXVBHSA-N
XLogP0.61
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide (CID 118726025) is (E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide is CS(=O)(=O)c1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide?
The InChIKey is AWFYCVJWAOVQFE-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-16(14,15)9-5-2-8(3-6-9)4-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-4+.
What are the key properties of (E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide?
(E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide has a molecular weight of 241.27 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(4-methylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 118726025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).