methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate

C17H19NO7S — CID 2808749

IUPACmethyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO7S/c1-22-11-5-7-12(8-6-11)26(20,21)18-14-10-16(24-3)15(23-2)9-13(14)17(19)25-4/h5-10,18H,1-4H3
InChIKeyIKPMXZWHZCMHSC-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.30
Rot. Bonds7

About methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate

methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate (PubChem CID 2808749) has the molecular formula C17H19NO7S and a molecular weight of 381.41 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate
PubChem CID2808749
Molecular FormulaC17H19NO7S
Molecular Weight381.41 g/mol
Exact Mass381.09
IUPAC Namemethyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO7S/c1-22-11-5-7-12(8-6-11)26(20,21)18-14-10-16(24-3)15(23-2)9-13(14)17(19)25-4/h5-10,18H,1-4H3
InChIKeyIKPMXZWHZCMHSC-UHFFFAOYSA-N
XLogP2.30
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate (CID 2808749) is methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate?
The InChIKey is IKPMXZWHZCMHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO7S/c1-22-11-5-7-12(8-6-11)26(20,21)18-14-10-16(24-3)15(23-2)9-13(14)17(19)25-4/h5-10,18H,1-4H3.
What are the key properties of methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate?
methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate has a molecular weight of 381.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 2808749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).