methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate

C16H17NO5S — CID 26528153

IUPACmethyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2cccc(OC)c2)cc1
InChIInChI=1S/C16H17NO5S/c1-21-14-5-3-4-12(10-14)11-17-23(19,20)15-8-6-13(7-9-15)16(18)22-2/h3-10,17H,11H2,1-2H3
InChIKeySOLBOPCEXNNLKK-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.96
Rot. Bonds6

About methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate

methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate (PubChem CID 26528153) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
PubChem CID26528153
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namemethyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2cccc(OC)c2)cc1
InChIInChI=1S/C16H17NO5S/c1-21-14-5-3-4-12(10-14)11-17-23(19,20)15-8-6-13(7-9-15)16(18)22-2/h3-10,17H,11H2,1-2H3
InChIKeySOLBOPCEXNNLKK-UHFFFAOYSA-N
XLogP1.96
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate
CID 60676710
methyl 3-[[(4-phenylphenyl)sulfonylamino]methyl]benzoate
CID 68822710
methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate
CID 44819893
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
CID 9324257
methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 3237854
N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55915793
3-amino-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028920
N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060995
N-[(3-methoxyphenyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 31481454
N-benzyl-4-methoxybenzenesulfonamide
CID 741351

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate?
The IUPAC name of methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate (CID 26528153) is methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCc2cccc(OC)c2)cc1.
What is the InChIKey of methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate?
The InChIKey is SOLBOPCEXNNLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-21-14-5-3-4-12(10-14)11-17-23(19,20)15-8-6-13(7-9-15)16(18)22-2/h3-10,17H,11H2,1-2H3.
What are the key properties of methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate?
methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate has a molecular weight of 335.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate is sourced from PubChem (CID 26528153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).