N-methyl-N-(4-methylphenyl)sulfonylacetamide

C10H13NO3S — CID 773301

IUPACN-methyl-N-(4-methylphenyl)sulfonylacetamide
SMILESCC(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO3S/c1-8-4-6-10(7-5-8)15(13,14)11(3)9(2)12/h4-7H,1-3H3
InChIKeyKXWKSNSAIXBORI-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.16
Rot. Bonds2

About N-methyl-N-(4-methylphenyl)sulfonylacetamide

N-methyl-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 773301) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)sulfonylacetamide
PubChem CID773301
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-methyl-N-(4-methylphenyl)sulfonylacetamide
SMILESCC(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO3S/c1-8-4-6-10(7-5-8)15(13,14)11(3)9(2)12/h4-7H,1-3H3
InChIKeyKXWKSNSAIXBORI-UHFFFAOYSA-N
XLogP1.16
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

p-Toluenesulfonyl isocyanate
CID 77703
Benzenesulfonamide, N,N,4-trimethyl-
CID 11743
N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
N',N',4-trimethylbenzene-1-sulfonohydrazide
CID 840007
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
50487-72-4
CID 351447
1-(4-Methylbenzenesulfonyl)aziridine
CID 561274
1-(p-Toluenesulfonyl)-2-pyrrolidinone
CID 563071
Ditolamide
CID 208847
1-tosyl-1H-pyrrol-2(5H)-one
CID 13427336
N-(difluoromethyl)-N,4-dimethylbenzenesulfonamide
CID 710702

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)sulfonylacetamide (CID 773301) is N-methyl-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)sulfonylacetamide is CC(=O)N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is KXWKSNSAIXBORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8-4-6-10(7-5-8)15(13,14)11(3)9(2)12/h4-7H,1-3H3.
What are the key properties of N-methyl-N-(4-methylphenyl)sulfonylacetamide?
N-methyl-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 227.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 773301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).