phenylsulfinamoyl acetate

C8H9NO3S — CID 70492753

IUPACphenylsulfinamoyl acetate
SMILESCC(=O)OS(=O)Nc1ccccc1
InChIInChI=1S/C8H9NO3S/c1-7(10)12-13(11)9-8-5-3-2-4-6-8/h2-6,9H,1H3
InChIKeyDRMJUCPVWLSONG-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.24
Rot. Bonds3

About phenylsulfinamoyl acetate

phenylsulfinamoyl acetate (PubChem CID 70492753) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is phenylsulfinamoyl acetate.

Molecular Properties

Compound Namephenylsulfinamoyl acetate
PubChem CID70492753
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Namephenylsulfinamoyl acetate
SMILESCC(=O)OS(=O)Nc1ccccc1
InChIInChI=1S/C8H9NO3S/c1-7(10)12-13(11)9-8-5-3-2-4-6-8/h2-6,9H,1H3
InChIKeyDRMJUCPVWLSONG-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenylsulfinamoyl acetate?
The IUPAC name of phenylsulfinamoyl acetate (CID 70492753) is phenylsulfinamoyl acetate.
What is the SMILES notation for phenylsulfinamoyl acetate?
The canonical SMILES for phenylsulfinamoyl acetate is CC(=O)OS(=O)Nc1ccccc1.
What is the InChIKey of phenylsulfinamoyl acetate?
The InChIKey is DRMJUCPVWLSONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-7(10)12-13(11)9-8-5-3-2-4-6-8/h2-6,9H,1H3.
What are the key properties of phenylsulfinamoyl acetate?
phenylsulfinamoyl acetate has a molecular weight of 199.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenylsulfinamoyl acetate is sourced from PubChem (CID 70492753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).