2-benzhydrylsulfonylacetamide

C15H15NO3S — CID 6460146

IUPAC2-benzhydrylsulfonylacetamide
SMILESNC(=O)CS(=O)(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO3S/c16-14(17)11-20(18,19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
InChIKeyZESNOWZYHYRSRY-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.68
Rot. Bonds5

About 2-benzhydrylsulfonylacetamide

2-benzhydrylsulfonylacetamide (PubChem CID 6460146) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-benzhydrylsulfonylacetamide.

Molecular Properties

Compound Name2-benzhydrylsulfonylacetamide
PubChem CID6460146
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-benzhydrylsulfonylacetamide
SMILESNC(=O)CS(=O)(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO3S/c16-14(17)11-20(18,19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
InChIKeyZESNOWZYHYRSRY-UHFFFAOYSA-N
XLogP1.68
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfonylacetamide?
The IUPAC name of 2-benzhydrylsulfonylacetamide (CID 6460146) is 2-benzhydrylsulfonylacetamide.
What is the SMILES notation for 2-benzhydrylsulfonylacetamide?
The canonical SMILES for 2-benzhydrylsulfonylacetamide is NC(=O)CS(=O)(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfonylacetamide?
The InChIKey is ZESNOWZYHYRSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c16-14(17)11-20(18,19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17).
What are the key properties of 2-benzhydrylsulfonylacetamide?
2-benzhydrylsulfonylacetamide has a molecular weight of 289.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfonylacetamide is sourced from PubChem (CID 6460146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).