2-benzylsulfonylacetamide

C9H11NO3S — CID 18474261

IUPAC2-benzylsulfonylacetamide
SMILESNC(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H11NO3S/c10-9(11)7-14(12,13)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKeyRQGXVEOHIJXKJX-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.09
Rot. Bonds4

About 2-benzylsulfonylacetamide

2-benzylsulfonylacetamide (PubChem CID 18474261) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-benzylsulfonylacetamide.

Molecular Properties

Compound Name2-benzylsulfonylacetamide
PubChem CID18474261
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-benzylsulfonylacetamide
SMILESNC(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H11NO3S/c10-9(11)7-14(12,13)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKeyRQGXVEOHIJXKJX-UHFFFAOYSA-N
XLogP0.09
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonylacetamide?
The IUPAC name of 2-benzylsulfonylacetamide (CID 18474261) is 2-benzylsulfonylacetamide.
What is the SMILES notation for 2-benzylsulfonylacetamide?
The canonical SMILES for 2-benzylsulfonylacetamide is NC(=O)CS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfonylacetamide?
The InChIKey is RQGXVEOHIJXKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c10-9(11)7-14(12,13)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11).
What are the key properties of 2-benzylsulfonylacetamide?
2-benzylsulfonylacetamide has a molecular weight of 213.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonylacetamide is sourced from PubChem (CID 18474261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).