N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide

C11H15NO5S — CID 70115907

IUPACN-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)c(C(C)=O)cc1OC
InChIInChI=1S/C11H15NO5S/c1-7(13)8-5-10(16-2)11(17-3)6-9(8)12-18(4,14)15/h5-6,12H,1-4H3
InChIKeyDXYIZENHTJSCOI-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.28
Rot. Bonds5

About N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide

N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide (PubChem CID 70115907) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide
PubChem CID70115907
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC NameN-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)c(C(C)=O)cc1OC
InChIInChI=1S/C11H15NO5S/c1-7(13)8-5-10(16-2)11(17-3)6-9(8)12-18(4,14)15/h5-6,12H,1-4H3
InChIKeyDXYIZENHTJSCOI-UHFFFAOYSA-N
XLogP1.28
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone
CID 67560086
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide
CID 57266401
N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 70092647
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate
CID 91623000
methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
CID 25484331
methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate
CID 35508855
2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride
CID 170985236
N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide
CID 10549566

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide?
The IUPAC name of N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide (CID 70115907) is N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide is COc1cc(NS(C)(=O)=O)c(C(C)=O)cc1OC.
What is the InChIKey of N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide?
The InChIKey is DXYIZENHTJSCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-7(13)8-5-10(16-2)11(17-3)6-9(8)12-18(4,14)15/h5-6,12H,1-4H3.
What are the key properties of N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide?
N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide has a molecular weight of 273.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 70115907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).