N-acetyl-2-benzylsulfonylacetamide

C11H13NO4S — CID 20540311

IUPACN-acetyl-2-benzylsulfonylacetamide
SMILESCC(=O)NC(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H13NO4S/c1-9(13)12-11(14)8-17(15,16)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13,14)
InChIKeyOFHYPLZMMSRIQP-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.26
Rot. Bonds4

About N-acetyl-2-benzylsulfonylacetamide

N-acetyl-2-benzylsulfonylacetamide (PubChem CID 20540311) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is N-acetyl-2-benzylsulfonylacetamide.

Molecular Properties

Compound NameN-acetyl-2-benzylsulfonylacetamide
PubChem CID20540311
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC NameN-acetyl-2-benzylsulfonylacetamide
SMILESCC(=O)NC(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H13NO4S/c1-9(13)12-11(14)8-17(15,16)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13,14)
InChIKeyOFHYPLZMMSRIQP-UHFFFAOYSA-N
XLogP0.26
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-benzylsulfonylacetamide?
The IUPAC name of N-acetyl-2-benzylsulfonylacetamide (CID 20540311) is N-acetyl-2-benzylsulfonylacetamide.
What is the SMILES notation for N-acetyl-2-benzylsulfonylacetamide?
The canonical SMILES for N-acetyl-2-benzylsulfonylacetamide is CC(=O)NC(=O)CS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-acetyl-2-benzylsulfonylacetamide?
The InChIKey is OFHYPLZMMSRIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-9(13)12-11(14)8-17(15,16)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13,14).
What are the key properties of N-acetyl-2-benzylsulfonylacetamide?
N-acetyl-2-benzylsulfonylacetamide has a molecular weight of 255.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-benzylsulfonylacetamide is sourced from PubChem (CID 20540311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).