2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide

C9H10ClNO3S — CID 3049612

IUPAC2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide
SMILESO=C(CS(=O)Cc1ccc(Cl)cc1)NO
InChIInChI=1S/C9H10ClNO3S/c10-8-3-1-7(2-4-8)5-15(14)6-9(12)11-13/h1-4,13H,5-6H2,(H,11,12)
InChIKeyPXGAWKXQCYIIOA-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.09
Rot. Bonds4

About 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide

2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide (PubChem CID 3049612) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide
PubChem CID3049612
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide
SMILESO=C(CS(=O)Cc1ccc(Cl)cc1)NO
InChIInChI=1S/C9H10ClNO3S/c10-8-3-1-7(2-4-8)5-15(14)6-9(12)11-13/h1-4,13H,5-6H2,(H,11,12)
InChIKeyPXGAWKXQCYIIOA-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(-)-2-[2-(4-Chlorophenyl)benzyl]sulphinylacetamide
CID 11855008
(+/-)-2-(Bis(4-chlorophenyl)methylsulfinyl)acetamide
CID 53322734
2-((Bis(3-chlorophenyl)methyl)sulfinyl)acetamide
CID 76329087
Propanamide, 2-(((4-chlorophenyl)methyl)sulfinyl)-N-hydroxy-
CID 3049619
2-(Bis(4-Chlorophenyl)Methylthio)Acetamide
CID 53324067
2-[[3-(4-Chlorophenyl)phenyl]methylsulfinyl]acetamide
CID 11652465
2-[[4-(4-Chlorophenyl)phenyl]methylsulfinyl]acetamide
CID 57393056
2-[(2-Chlorobenzyl)sulfanyl]acetamide
CID 958774
3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide
CID 5058065
2-[(4-Chlorophenyl)methylsulfonyl]acetamide
CID 17225053
2-[(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide
CID 23339640
2-[1-(4-Chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide
CID 143750300

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide (CID 3049612) is 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide is O=C(CS(=O)Cc1ccc(Cl)cc1)NO.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide?
The InChIKey is PXGAWKXQCYIIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c10-8-3-1-7(2-4-8)5-15(14)6-9(12)11-13/h1-4,13H,5-6H2,(H,11,12).
What are the key properties of 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide?
2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide has a molecular weight of 247.70 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide is sourced from PubChem (CID 3049612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).