(2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate

C19H23NO6S — CID 1079067

IUPAC(2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccccc2OC)ccc1OC
InChIInChI=1S/C19H23NO6S/c1-5-20(6-2)27(22,23)18-13-14(11-12-17(18)25-4)19(21)26-16-10-8-7-9-15(16)24-3/h7-13H,5-6H2,1-4H3
InChIKeyZQBMLUUWOYTGMD-UHFFFAOYSA-N
MW393.46 g/mol
LogP2.95
Rot. Bonds8

About (2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate

(2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate (PubChem CID 1079067) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is (2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name(2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate
PubChem CID1079067
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Name(2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccccc2OC)ccc1OC
InChIInChI=1S/C19H23NO6S/c1-5-20(6-2)27(22,23)18-13-14(11-12-17(18)25-4)19(21)26-16-10-8-7-9-15(16)24-3/h7-13H,5-6H2,1-4H3
InChIKeyZQBMLUUWOYTGMD-UHFFFAOYSA-N
XLogP2.95
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of (2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate (CID 1079067) is (2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for (2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for (2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccccc2OC)ccc1OC.
What is the InChIKey of (2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate?
The InChIKey is ZQBMLUUWOYTGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-5-20(6-2)27(22,23)18-13-14(11-12-17(18)25-4)19(21)26-16-10-8-7-9-15(16)24-3/h7-13H,5-6H2,1-4H3.
What are the key properties of (2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate?
(2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate has a molecular weight of 393.46 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 1079067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).