methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate

C11H15NO5S — CID 51179291

IUPACmethyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNS(C)(=O)=O)ccc1OC
InChIInChI=1S/C11H15NO5S/c1-16-10-5-4-8(7-12-18(3,14)15)6-9(10)11(13)17-2/h4-6,12H,7H2,1-3H3
InChIKeyPXKICGMBEHOZDP-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.53
Rot. Bonds5

About methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate

methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate (PubChem CID 51179291) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate
PubChem CID51179291
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Namemethyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNS(C)(=O)=O)ccc1OC
InChIInChI=1S/C11H15NO5S/c1-16-10-5-4-8(7-12-18(3,14)15)6-9(10)11(13)17-2/h4-6,12H,7H2,1-3H3
InChIKeyPXKICGMBEHOZDP-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate
CID 56581815
methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate
CID 58884067
methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
CID 119726463
methyl 5-(aminooxymethyl)-2-methoxybenzoate
CID 59478628
methyl 5-[(but-2-ynoylamino)methyl]-2-methoxybenzoate
CID 146076174
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate
CID 55650630
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate
CID 27817531
methyl 5-[[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-2-methoxybenzoate
CID 111868218
methyl 5-[[(2,2-difluoro-3-hydroxy-3-methylbutanoyl)amino]methyl]-2-methoxybenzoate
CID 100610786
methyl 2-methoxy-5-[[3-(4-methylphenyl)prop-2-enoylamino]methyl]benzoate
CID 75618723

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate?
The IUPAC name of methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate (CID 51179291) is methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate.
What is the SMILES notation for methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate?
The canonical SMILES for methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate is COC(=O)c1cc(CNS(C)(=O)=O)ccc1OC.
What is the InChIKey of methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate?
The InChIKey is PXKICGMBEHOZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-16-10-5-4-8(7-12-18(3,14)15)6-9(10)11(13)17-2/h4-6,12H,7H2,1-3H3.
What are the key properties of methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate?
methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate has a molecular weight of 273.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate is sourced from PubChem (CID 51179291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).