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

C10H12ClNO3S — CID 3049619

IUPAC2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxypropanamide
SMILESCC(C(=O)NO)S(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO3S/c1-7(10(13)12-14)16(15)6-8-2-4-9(11)5-3-8/h2-5,7,14H,6H2,1H3,(H,12,13)
InChIKeyWKNGSHDYRAWYOE-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.48
Rot. Bonds4

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

2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxypropanamide (PubChem CID 3049619) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxypropanamide
PubChem CID3049619
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxypropanamide
SMILESCC(C(=O)NO)S(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO3S/c1-7(10(13)12-14)16(15)6-8-2-4-9(11)5-3-8/h2-5,7,14H,6H2,1H3,(H,12,13)
InChIKeyWKNGSHDYRAWYOE-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.48
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'}

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Related Compounds

(-)-2-[2-(4-Chlorophenyl)benzyl]sulphinylacetamide
CID 11855008
(+/-)-2-(Bis(4-chlorophenyl)methylsulfinyl)acetamide
CID 53322734
Acetamide, 2-(((4-chlorophenyl)methyl)sulfinyl)-N-hydroxy-
CID 3049612
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-[1-(4-Chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide
CID 143750300
2-[1-(4-Chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide
CID 143750302
3-[(2-Chloro-6-fluorophenyl)methylsulfonyl]propanamide
CID 45828927
2-[(2-Chloro-4-fluorophenyl)methylsulfonyl]acetamide
CID 46458674

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxypropanamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxypropanamide (CID 3049619) is 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxypropanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxypropanamide is CC(C(=O)NO)S(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxypropanamide?
The InChIKey is WKNGSHDYRAWYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-7(10(13)12-14)16(15)6-8-2-4-9(11)5-3-8/h2-5,7,14H,6H2,1H3,(H,12,13).
What are the key properties of 2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxypropanamide?
2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxypropanamide has a molecular weight of 261.73 g/mol, XLogP of 1.48, 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-hydroxypropanamide is sourced from PubChem (CID 3049619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).