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

C19H21NO8S — CID 35508855

IUPACmethyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c1
InChIInChI=1S/C19H21NO8S/c1-11-6-7-12(18(21)27-4)8-17(11)29(23,24)20-14-10-16(26-3)15(25-2)9-13(14)19(22)28-5/h6-10,20H,1-5H3
InChIKeyYMLZAQAKYPPLSX-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.39
Rot. Bonds7

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

methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate (PubChem CID 35508855) has the molecular formula C19H21NO8S and a molecular weight of 423.44 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate
PubChem CID35508855
Molecular FormulaC19H21NO8S
Molecular Weight423.44 g/mol
Exact Mass423.10
IUPAC Namemethyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c1
InChIInChI=1S/C19H21NO8S/c1-11-6-7-12(18(21)27-4)8-17(11)29(23,24)20-14-10-16(26-3)15(25-2)9-13(14)19(22)28-5/h6-10,20H,1-5H3
InChIKeyYMLZAQAKYPPLSX-UHFFFAOYSA-N
XLogP2.39
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 7941100
dimethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26949768
methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate
CID 35540100
methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate
CID 100508887
methyl 2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 3459990
methyl 4-methyl-3-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 35507391
dimethyl 2-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 29424922
methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 2480010
dimethyl 2-[(3,4-dimethylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26952290
methyl 2-[(4-iodophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 3486727
3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid
CID 24502065
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507966

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate (CID 35508855) is methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate is COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate?
The InChIKey is YMLZAQAKYPPLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO8S/c1-11-6-7-12(18(21)27-4)8-17(11)29(23,24)20-14-10-16(26-3)15(25-2)9-13(14)19(22)28-5/h6-10,20H,1-5H3.
What are the key properties of methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate?
methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate has a molecular weight of 423.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 35508855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).