N-(2,5-dimethylphenyl)sulfonylacetamide

C10H13NO3S — CID 47269172

IUPACN-(2,5-dimethylphenyl)sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C10H13NO3S/c1-7-4-5-8(2)10(6-7)15(13,14)11-9(3)12/h4-6H,1-3H3,(H,11,12)
InChIKeyXJXXDVJMFSKKRE-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.13
Rot. Bonds2

About N-(2,5-dimethylphenyl)sulfonylacetamide

N-(2,5-dimethylphenyl)sulfonylacetamide (PubChem CID 47269172) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)sulfonylacetamide
PubChem CID47269172
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-(2,5-dimethylphenyl)sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C10H13NO3S/c1-7-4-5-8(2)10(6-7)15(13,14)11-9(3)12/h4-6H,1-3H3,(H,11,12)
InChIKeyXJXXDVJMFSKKRE-UHFFFAOYSA-N
XLogP1.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Ethyl-o-toluenesulfonamide
CID 14110
2,5-Dimethylbenzenesulfonamide
CID 222871
o-Toluenesulfonyl Isocyanate
CID 2733313
N-((4-Methylphenyl)sulfonyl)acetamide
CID 286222
2-chloro-N-(4-methylbenzenesulfonyl)acetamide
CID 676598
N,N,2,5-tetramethylbenzenesulfonamide
CID 16644738
N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide
CID 5461261
N-[(4-methylphenyl)sulfonyl]propanamide
CID 3113783
N-(4-methylphenyl)sulfonylpentanamide
CID 44576801
N-carbamoyl-3-methylbenzenesulfonamide
CID 46224904
N-(2-hydroxyethyl)-2,5-dimethylbenzenesulfonamide
CID 1930535
N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2-methylpropanamide
CID 53596806

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)sulfonylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)sulfonylacetamide (CID 47269172) is N-(2,5-dimethylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)sulfonylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)sulfonylacetamide is CC(=O)NS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)sulfonylacetamide?
The InChIKey is XJXXDVJMFSKKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-7-4-5-8(2)10(6-7)15(13,14)11-9(3)12/h4-6H,1-3H3,(H,11,12).
What are the key properties of N-(2,5-dimethylphenyl)sulfonylacetamide?
N-(2,5-dimethylphenyl)sulfonylacetamide has a molecular weight of 227.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)sulfonylacetamide is sourced from PubChem (CID 47269172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).