ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate

C19H24N2O4S — CID 9191366

IUPACethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-25-19(22)17-9-11-18(12-10-17)26(23,24)20-13-15-5-7-16(8-6-15)14-21(2)3/h5-12,20H,4,13-14H2,1-3H3
InChIKeyWKYXUSAJSJXSRM-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.40
Rot. Bonds8

About ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate

ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate (PubChem CID 9191366) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate
PubChem CID9191366
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Nameethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-25-19(22)17-9-11-18(12-10-17)26(23,24)20-13-15-5-7-16(8-6-15)14-21(2)3/h5-12,20H,4,13-14H2,1-3H3
InChIKeyWKYXUSAJSJXSRM-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate?
The IUPAC name of ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate (CID 9191366) is ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(CN(C)C)cc2)cc1.
What is the InChIKey of ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate?
The InChIKey is WKYXUSAJSJXSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-25-19(22)17-9-11-18(12-10-17)26(23,24)20-13-15-5-7-16(8-6-15)14-21(2)3/h5-12,20H,4,13-14H2,1-3H3.
What are the key properties of ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate?
ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate has a molecular weight of 376.48 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate is sourced from PubChem (CID 9191366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).