N-(3-methylphenyl)sulfonylacetamide

C9H11NO3S — CID 47269960

IUPACN-(3-methylphenyl)sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C9H11NO3S/c1-7-4-3-5-9(6-7)14(12,13)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKeyOBLMCOXIIOOTBI-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.82
Rot. Bonds2

About N-(3-methylphenyl)sulfonylacetamide

N-(3-methylphenyl)sulfonylacetamide (PubChem CID 47269960) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(3-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)sulfonylacetamide
PubChem CID47269960
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC NameN-(3-methylphenyl)sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C9H11NO3S/c1-7-4-3-5-9(6-7)14(12,13)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKeyOBLMCOXIIOOTBI-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)sulfonylacetamide?
The IUPAC name of N-(3-methylphenyl)sulfonylacetamide (CID 47269960) is N-(3-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(3-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-(3-methylphenyl)sulfonylacetamide is CC(=O)NS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-(3-methylphenyl)sulfonylacetamide?
The InChIKey is OBLMCOXIIOOTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-7-4-3-5-9(6-7)14(12,13)10-8(2)11/h3-6H,1-2H3,(H,10,11).
What are the key properties of N-(3-methylphenyl)sulfonylacetamide?
N-(3-methylphenyl)sulfonylacetamide has a molecular weight of 213.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 47269960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).