methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate

C20H23NO6S — CID 8705374

IUPACmethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C20H23NO6S/c1-4-21(5-2)28(24,25)18-11-9-16(10-12-18)20(23)27-14-15-7-6-8-17(13-15)19(22)26-3/h6-13H,4-5,14H2,1-3H3
InChIKeyIMBSARRWZYVGBO-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.86
Rot. Bonds8

About methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate

methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate (PubChem CID 8705374) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate
PubChem CID8705374
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Namemethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C20H23NO6S/c1-4-21(5-2)28(24,25)18-11-9-16(10-12-18)20(23)27-14-15-7-6-8-17(13-15)19(22)26-3/h6-13H,4-5,14H2,1-3H3
InChIKeyIMBSARRWZYVGBO-UHFFFAOYSA-N
XLogP2.86
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190
methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)benzoate
CID 2678014
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
2-[ethyl-(3-methoxycarbonylphenyl)sulfonylamino]acetic acid
CID 61012663
(2-methylphenyl)methyl 4-(diethylsulfamoyl)benzoate
CID 7784760
(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 46548136
(3-fluorophenyl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529935
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378658
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate?
The IUPAC name of methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate (CID 8705374) is methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate?
The canonical SMILES for methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cccc(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate?
The InChIKey is IMBSARRWZYVGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-4-21(5-2)28(24,25)18-11-9-16(10-12-18)20(23)27-14-15-7-6-8-17(13-15)19(22)26-3/h6-13H,4-5,14H2,1-3H3.
What are the key properties of methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate?
methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate has a molecular weight of 405.47 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate is sourced from PubChem (CID 8705374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).