methyl 4-(benzylsulfamoyl)-2-methoxybenzoate

C16H17NO5S — CID 66601229

IUPACmethyl 4-(benzylsulfamoyl)-2-methoxybenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C16H17NO5S/c1-21-15-10-13(8-9-14(15)16(18)22-2)23(19,20)17-11-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3
InChIKeyZFGOFWPAZMNHJP-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.96
Rot. Bonds6

About methyl 4-(benzylsulfamoyl)-2-methoxybenzoate

methyl 4-(benzylsulfamoyl)-2-methoxybenzoate (PubChem CID 66601229) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 4-(benzylsulfamoyl)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(benzylsulfamoyl)-2-methoxybenzoate
PubChem CID66601229
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namemethyl 4-(benzylsulfamoyl)-2-methoxybenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C16H17NO5S/c1-21-15-10-13(8-9-14(15)16(18)22-2)23(19,20)17-11-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3
InChIKeyZFGOFWPAZMNHJP-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

5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
methyl 4-(butylsulfamoyl)-2-methoxybenzoate
CID 167914017
methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate
CID 44819893
3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665317
methyl 2-methoxy-4-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)benzoate
CID 120721499
methyl 4-(3-aminopropylsulfamoyl)-2-methoxybenzoate;hydrochloride
CID 120706751
methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate
CID 120716202
methyl 4-(benzylamino)-2-methoxybenzoate
CID 23068026
methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716201
4-(benzylsulfamoyl)-2-fluorobenzoic acid
CID 91441664
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
[2-(2-methoxyphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 16520940

Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzylsulfamoyl)-2-methoxybenzoate?
The IUPAC name of methyl 4-(benzylsulfamoyl)-2-methoxybenzoate (CID 66601229) is methyl 4-(benzylsulfamoyl)-2-methoxybenzoate.
What is the SMILES notation for methyl 4-(benzylsulfamoyl)-2-methoxybenzoate?
The canonical SMILES for methyl 4-(benzylsulfamoyl)-2-methoxybenzoate is COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1OC.
What is the InChIKey of methyl 4-(benzylsulfamoyl)-2-methoxybenzoate?
The InChIKey is ZFGOFWPAZMNHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-21-15-10-13(8-9-14(15)16(18)22-2)23(19,20)17-11-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3.
What are the key properties of methyl 4-(benzylsulfamoyl)-2-methoxybenzoate?
methyl 4-(benzylsulfamoyl)-2-methoxybenzoate 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-(benzylsulfamoyl)-2-methoxybenzoate is sourced from PubChem (CID 66601229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).