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

C16H17NO5S — CID 26527056

IUPACmethyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H17NO5S/c1-21-14-7-3-12(4-8-14)11-17-23(19,20)15-9-5-13(6-10-15)16(18)22-2/h3-10,17H,11H2,1-2H3
InChIKeyIZTUMVKUCBHLPR-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.96
Rot. Bonds6

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

methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate (PubChem CID 26527056) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
PubChem CID26527056
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namemethyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H17NO5S/c1-21-14-7-3-12(4-8-14)11-17-23(19,20)15-9-5-13(6-10-15)16(18)22-2/h3-10,17H,11H2,1-2H3
InChIKeyIZTUMVKUCBHLPR-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

4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
CID 26528153
methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
CID 9324257
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N,N-bis(2-methylpropyl)benzamide
CID 20854207
N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332057
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824
methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 24639142
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate?
The IUPAC name of methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate (CID 26527056) is methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate?
The InChIKey is IZTUMVKUCBHLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-21-14-7-3-12(4-8-14)11-17-23(19,20)15-9-5-13(6-10-15)16(18)22-2/h3-10,17H,11H2,1-2H3.
What are the key properties of methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate?
methyl 4-[(4-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-[(4-methoxyphenyl)methylsulfamoyl]benzoate is sourced from PubChem (CID 26527056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).