2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide

C9H9ClFNO3S — CID 46458674

IUPAC2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide
SMILESNC(=O)CS(=O)(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C9H9ClFNO3S/c10-8-3-7(11)2-1-6(8)4-16(14,15)5-9(12)13/h1-3H,4-5H2,(H2,12,13)
InChIKeyVNWQWDQRYXHJEU-UHFFFAOYSA-N
MW265.69 g/mol
LogP0.88
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide

2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide (PubChem CID 46458674) has the molecular formula C9H9ClFNO3S and a molecular weight of 265.69 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide
PubChem CID46458674
Molecular FormulaC9H9ClFNO3S
Molecular Weight265.69 g/mol
Exact Mass265.00
IUPAC Name2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide
SMILESNC(=O)CS(=O)(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C9H9ClFNO3S/c10-8-3-7(11)2-1-6(8)4-16(14,15)5-9(12)13/h1-3H,4-5H2,(H2,12,13)
InChIKeyVNWQWDQRYXHJEU-UHFFFAOYSA-N
XLogP0.88
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.69
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-)-2-(Bis(4-chlorophenyl)methylsulfinyl)acetamide
CID 53322734
2-((Bis(3-chlorophenyl)methyl)sulfinyl)acetamide
CID 76329087
2-[(2,6-Dichlorobenzyl)sulfanyl]acetamide
CID 893931
Acetamide, 2-(((4-chlorophenyl)methyl)sulfinyl)-N-hydroxy-
CID 3049612
Propanamide, 2-(((4-chlorophenyl)methyl)sulfinyl)-N-hydroxy-
CID 3049619
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-methylacetamide
CID 848434
N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}methanesulfonamide
CID 2175588
2-[(2-Chloro-6-fluorobenzyl)sulfonyl]acetonitrile
CID 588752
2-[(4-Fluorophenyl)methylsulfonyl]acetamide
CID 45892024
2-[[2-(2-Chlorophenyl)phenyl]methylsulfinyl]acetamide
CID 57396532
2-[(2-Chloro-6-fluorobenzyl)sulfanyl]acetamide
CID 961808
2-[(2-Chlorobenzyl)sulfanyl]acetamide
CID 958774

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide (CID 46458674) is 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide is NC(=O)CS(=O)(=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide?
The InChIKey is VNWQWDQRYXHJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO3S/c10-8-3-7(11)2-1-6(8)4-16(14,15)5-9(12)13/h1-3H,4-5H2,(H2,12,13).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide?
2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide has a molecular weight of 265.69 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 46458674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).