N-(3-methylsulfonylphenyl)acetamide

C9H11NO3S — CID 825959

IUPACN-(3-methylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C9H11NO3S/c1-7(11)10-8-4-3-5-9(6-8)14(2,12)13/h3-6H,1-2H3,(H,10,11)
InChIKeyGURRNVKSFVATET-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.05
Rot. Bonds2

About N-(3-methylsulfonylphenyl)acetamide

N-(3-methylsulfonylphenyl)acetamide (PubChem CID 825959) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)acetamide
PubChem CID825959
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC NameN-(3-methylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C9H11NO3S/c1-7(11)10-8-4-3-5-9(6-8)14(2,12)13/h3-6H,1-2H3,(H,10,11)
InChIKeyGURRNVKSFVATET-UHFFFAOYSA-N
XLogP1.05
TPSA63.24 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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(3-methylsulfonylphenyl)acetamide (CID 825959) is N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)acetamide is CC(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is GURRNVKSFVATET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-7(11)10-8-4-3-5-9(6-8)14(2,12)13/h3-6H,1-2H3,(H,10,11).
What are the key properties of N-(3-methylsulfonylphenyl)acetamide?
N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 213.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 825959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).