methyl 3-(methanesulfonamido)-4-methoxybenzoate

C10H13NO5S — CID 5303011

IUPACmethyl 3-(methanesulfonamido)-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(NS(C)(=O)=O)c1
InChIInChI=1S/C10H13NO5S/c1-15-9-5-4-7(10(12)16-2)6-8(9)11-17(3,13)14/h4-6,11H,1-3H3
InChIKeyGTUWALDPIDUBBV-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.85
Rot. Bonds4

About methyl 3-(methanesulfonamido)-4-methoxybenzoate

methyl 3-(methanesulfonamido)-4-methoxybenzoate (PubChem CID 5303011) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is methyl 3-(methanesulfonamido)-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-(methanesulfonamido)-4-methoxybenzoate
PubChem CID5303011
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Namemethyl 3-(methanesulfonamido)-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(NS(C)(=O)=O)c1
InChIInChI=1S/C10H13NO5S/c1-15-9-5-4-7(10(12)16-2)6-8(9)11-17(3,13)14/h4-6,11H,1-3H3
InChIKeyGTUWALDPIDUBBV-UHFFFAOYSA-N
XLogP0.85
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 3408360
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
methyl 3-[(4-tert-butylphenyl)sulfonylamino]-4-methoxybenzoate
CID 3798192
methyl 3-amino-4-(methanesulfonamido)benzoate
CID 163342868
methyl 3-chloro-4-(methanesulfonamido)benzoate
CID 91671526
methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3481209
3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
CID 39975934
dimethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzene-1,4-dicarboxylate
CID 92510603
methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate
CID 28632724
methyl 3-(cyclopropyliminomethylamino)-4-methoxybenzoate
CID 54333094
methyl 3-(ethylsulfonylamino)-4-methylbenzoate
CID 6466185

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methanesulfonamido)-4-methoxybenzoate?
The IUPAC name of methyl 3-(methanesulfonamido)-4-methoxybenzoate (CID 5303011) is methyl 3-(methanesulfonamido)-4-methoxybenzoate.
What is the SMILES notation for methyl 3-(methanesulfonamido)-4-methoxybenzoate?
The canonical SMILES for methyl 3-(methanesulfonamido)-4-methoxybenzoate is COC(=O)c1ccc(OC)c(NS(C)(=O)=O)c1.
What is the InChIKey of methyl 3-(methanesulfonamido)-4-methoxybenzoate?
The InChIKey is GTUWALDPIDUBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-15-9-5-4-7(10(12)16-2)6-8(9)11-17(3,13)14/h4-6,11H,1-3H3.
What are the key properties of methyl 3-(methanesulfonamido)-4-methoxybenzoate?
methyl 3-(methanesulfonamido)-4-methoxybenzoate has a molecular weight of 259.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methanesulfonamido)-4-methoxybenzoate is sourced from PubChem (CID 5303011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).