N-hydroxy-N-(2-methylsulfinylphenyl)acetamide

C9H11NO3S — CID 162349280

IUPACN-hydroxy-N-(2-methylsulfinylphenyl)acetamide
SMILESCC(=O)N(O)c1ccccc1S(C)=O
InChIInChI=1S/C9H11NO3S/c1-7(11)10(12)8-5-3-4-6-9(8)14(2)13/h3-6,12H,1-2H3
InChIKeyAIPIGDTYVGHRLQ-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.17
Rot. Bonds2

About N-hydroxy-N-(2-methylsulfinylphenyl)acetamide

N-hydroxy-N-(2-methylsulfinylphenyl)acetamide (PubChem CID 162349280) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-hydroxy-N-(2-methylsulfinylphenyl)acetamide.

Molecular Properties

Compound NameN-hydroxy-N-(2-methylsulfinylphenyl)acetamide
PubChem CID162349280
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC NameN-hydroxy-N-(2-methylsulfinylphenyl)acetamide
SMILESCC(=O)N(O)c1ccccc1S(C)=O
InChIInChI=1S/C9H11NO3S/c1-7(11)10(12)8-5-3-4-6-9(8)14(2)13/h3-6,12H,1-2H3
InChIKeyAIPIGDTYVGHRLQ-UHFFFAOYSA-N
XLogP1.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-(2-methylsulfinylphenyl)acetamide?
The IUPAC name of N-hydroxy-N-(2-methylsulfinylphenyl)acetamide (CID 162349280) is N-hydroxy-N-(2-methylsulfinylphenyl)acetamide.
What is the SMILES notation for N-hydroxy-N-(2-methylsulfinylphenyl)acetamide?
The canonical SMILES for N-hydroxy-N-(2-methylsulfinylphenyl)acetamide is CC(=O)N(O)c1ccccc1S(C)=O.
What is the InChIKey of N-hydroxy-N-(2-methylsulfinylphenyl)acetamide?
The InChIKey is AIPIGDTYVGHRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-7(11)10(12)8-5-3-4-6-9(8)14(2)13/h3-6,12H,1-2H3.
What are the key properties of N-hydroxy-N-(2-methylsulfinylphenyl)acetamide?
N-hydroxy-N-(2-methylsulfinylphenyl)acetamide has a molecular weight of 213.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(2-methylsulfinylphenyl)acetamide is sourced from PubChem (CID 162349280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).