2-[(4-chlorophenyl)methylsulfonyl]acetamide

C9H10ClNO3S — CID 17225053

IUPAC2-[(4-chlorophenyl)methylsulfonyl]acetamide
SMILESNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO3S/c10-8-3-1-7(2-4-8)5-15(13,14)6-9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKeyNPGZVPYZMDEIRE-UHFFFAOYSA-N
MW247.70 g/mol
LogP0.74
Rot. Bonds4

About 2-[(4-chlorophenyl)methylsulfonyl]acetamide

2-[(4-chlorophenyl)methylsulfonyl]acetamide (PubChem CID 17225053) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]acetamide
PubChem CID17225053
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]acetamide
SMILESNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO3S/c10-8-3-1-7(2-4-8)5-15(13,14)6-9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKeyNPGZVPYZMDEIRE-UHFFFAOYSA-N
XLogP0.74
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

p-Chlorobenzyl vinyl sulfone
CID 99234
(-)-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
2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile
CID 2778425
N-{2-[(4-chlorobenzyl)sulfanyl]ethyl}methanesulfonamide
CID 2284492
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
3-[(4-Chlorobenzyl)sulfonyl]-4,6-dimethyl-2-pyridinol
CID 1488734
2-(Bis(4-Chlorophenyl)Methylthio)Acetamide
CID 53324067
3-(Benzylsulfonyl)-2-methylpropanamide
CID 335544

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]acetamide (CID 17225053) is 2-[(4-chlorophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]acetamide is NC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]acetamide?
The InChIKey is NPGZVPYZMDEIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c10-8-3-1-7(2-4-8)5-15(13,14)6-9(11)12/h1-4H,5-6H2,(H2,11,12).
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]acetamide?
2-[(4-chlorophenyl)methylsulfonyl]acetamide has a molecular weight of 247.70 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 17225053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).