methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate

C11H15NO5S — CID 91623000

IUPACmethyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate
SMILESCOC(=O)c1cc(NS(C)(=O)=O)c(C)cc1OC
InChIInChI=1S/C11H15NO5S/c1-7-5-10(16-2)8(11(13)17-3)6-9(7)12-18(4,14)15/h5-6,12H,1-4H3
InChIKeyXNDIKFJKIUFNRP-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.16
Rot. Bonds4

About methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate

methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate (PubChem CID 91623000) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate
PubChem CID91623000
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Namemethyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate
SMILESCOC(=O)c1cc(NS(C)(=O)=O)c(C)cc1OC
InChIInChI=1S/C11H15NO5S/c1-7-5-10(16-2)8(11(13)17-3)6-9(7)12-18(4,14)15/h5-6,12H,1-4H3
InChIKeyXNDIKFJKIUFNRP-UHFFFAOYSA-N
XLogP1.16
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
dimethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26949768
N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide
CID 70115907
methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate
CID 27242666
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate
CID 19062657
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate
CID 68527353
methyl 2,4-dimethoxy-5-sulfamoylbenzoate
CID 63840880
methyl 4,5-diiodo-2-methoxybenzoate
CID 130877100
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide
CID 12849710

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate?
The IUPAC name of methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate (CID 91623000) is methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate.
What is the SMILES notation for methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate?
The canonical SMILES for methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate is COC(=O)c1cc(NS(C)(=O)=O)c(C)cc1OC.
What is the InChIKey of methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate?
The InChIKey is XNDIKFJKIUFNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-7-5-10(16-2)8(11(13)17-3)6-9(7)12-18(4,14)15/h5-6,12H,1-4H3.
What are the key properties of methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate?
methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate has a molecular weight of 273.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate is sourced from PubChem (CID 91623000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).