methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate

C17H19NO5S — CID 26528290

IUPACmethyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2OC)cc1
InChIInChI=1S/C17H19NO5S/c1-18(12-14-6-4-5-7-16(14)22-2)24(20,21)15-10-8-13(9-11-15)17(19)23-3/h4-11H,12H2,1-3H3
InChIKeyZMZQZBWTHBVKGP-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.30
Rot. Bonds6

About methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate

methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate (PubChem CID 26528290) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
PubChem CID26528290
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Namemethyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2OC)cc1
InChIInChI=1S/C17H19NO5S/c1-18(12-14-6-4-5-7-16(14)22-2)24(20,21)15-10-8-13(9-11-15)17(19)23-3/h4-11H,12H2,1-3H3
InChIKeyZMZQZBWTHBVKGP-UHFFFAOYSA-N
XLogP2.30
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422
4-[methoxy(methyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 8927243
methyl 4-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]benzoate
CID 26057385
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
N-[5-[(2-methoxyphenyl)methyl-methylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100768809
4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide
CID 112822977
N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 94606005
4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110626952
4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 55639103
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]benzoate
CID 107203072
N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 26003303
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 43909211

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate?
The IUPAC name of methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate (CID 26528290) is methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2OC)cc1.
What is the InChIKey of methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate?
The InChIKey is ZMZQZBWTHBVKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-18(12-14-6-4-5-7-16(14)22-2)24(20,21)15-10-8-13(9-11-15)17(19)23-3/h4-11H,12H2,1-3H3.
What are the key properties of methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate?
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate has a molecular weight of 349.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate is sourced from PubChem (CID 26528290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).