methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate

C17H19NO6S — CID 44819893

IUPACmethyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate
SMILESCOC(=O)c1cccc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H19NO6S/c1-22-15-8-7-14(10-16(15)23-2)25(20,21)18-11-12-5-4-6-13(9-12)17(19)24-3/h4-10,18H,11H2,1-3H3
InChIKeyVIJUGPORNPUVHM-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.97
Rot. Bonds7

About methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate

methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate (PubChem CID 44819893) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate
PubChem CID44819893
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Namemethyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate
SMILESCOC(=O)c1cccc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H19NO6S/c1-22-15-8-7-14(10-16(15)23-2)25(20,21)18-11-12-5-4-6-13(9-12)17(19)24-3/h4-10,18H,11H2,1-3H3
InChIKeyVIJUGPORNPUVHM-UHFFFAOYSA-N
XLogP1.97
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[(4-phenylphenyl)sulfonylamino]methyl]benzoate
CID 68822710
methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate
CID 31701712
methyl 4-(benzylsulfamoyl)-2-methoxybenzoate
CID 66601229
methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
CID 26528153
methyl 3-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]benzoate
CID 134944324
3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665317
N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43593541
methyl 3-[(3-fluoro-4-methylphenyl)methylsulfamoyl]benzoate
CID 31770306
4-methoxy-3-nitro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 55906632
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 100552162
2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 53282747

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate?
The IUPAC name of methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate (CID 44819893) is methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate.
What is the SMILES notation for methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate?
The canonical SMILES for methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate is COC(=O)c1cccc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate?
The InChIKey is VIJUGPORNPUVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-22-15-8-7-14(10-16(15)23-2)25(20,21)18-11-12-5-4-6-13(9-12)17(19)24-3/h4-10,18H,11H2,1-3H3.
What are the key properties of methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate?
methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate has a molecular weight of 365.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate is sourced from PubChem (CID 44819893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).