N-benzylsulfonylacetamide

C9H11NO3S — CID 47270937

IUPACN-benzylsulfonylacetamide
SMILESCC(=O)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H11NO3S/c1-8(11)10-14(12,13)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11)
InChIKeyUEGDJIXPTJUQIP-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.65
Rot. Bonds3

About N-benzylsulfonylacetamide

N-benzylsulfonylacetamide (PubChem CID 47270937) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-benzylsulfonylacetamide.

Molecular Properties

Compound NameN-benzylsulfonylacetamide
PubChem CID47270937
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC NameN-benzylsulfonylacetamide
SMILESCC(=O)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H11NO3S/c1-8(11)10-14(12,13)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11)
InChIKeyUEGDJIXPTJUQIP-UHFFFAOYSA-N
XLogP0.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Modafinil
CID 4236
Armodafinil
CID 9690109
2-((4-Methylphenyl)sulfonyl)acetamide
CID 104164
N-Hydroxy-N~2~-[(2-Phenylethyl)sulfonyl]glycinamide
CID 57339411
Xrtskrbkmfjbjv-uhfffaoysa-
CID 13373975
Acetamide, 2-(benzylthio)-
CID 95209
Modafinil, (S)-
CID 11173366
N-methyl-1-phenylmethanesulfonamide
CID 290582
Modafinil Sulfone
CID 6460146
N-Methyl-2-phenylethene-1-sulfonamide
CID 2427246
2-[(4-Sulfamoylphenyl)methylsulfanyl]acetamide
CID 44343753
1-Oxo-5-phenyl-1,2-thiazol-3-one
CID 146833326

Frequently Asked Questions

What is the IUPAC name of N-benzylsulfonylacetamide?
The IUPAC name of N-benzylsulfonylacetamide (CID 47270937) is N-benzylsulfonylacetamide.
What is the SMILES notation for N-benzylsulfonylacetamide?
The canonical SMILES for N-benzylsulfonylacetamide is CC(=O)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-benzylsulfonylacetamide?
The InChIKey is UEGDJIXPTJUQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-8(11)10-14(12,13)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11).
What are the key properties of N-benzylsulfonylacetamide?
N-benzylsulfonylacetamide has a molecular weight of 213.26 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfonylacetamide is sourced from PubChem (CID 47270937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).