1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate

C18H19NO6S — CID 174435852

IUPAC1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate
SMILESCCOC(=O)c1ccc(C(=O)OCCS(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H19NO6S/c1-2-24-17(20)14-8-10-15(11-9-14)18(21)25-12-13-26(22,23)19-16-6-4-3-5-7-16/h3-11,19H,2,12-13H2,1H3
InChIKeyXLNUESUZIIMBAC-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.46
Rot. Bonds8

About 1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate

1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate (PubChem CID 174435852) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate
PubChem CID174435852
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Name1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate
SMILESCCOC(=O)c1ccc(C(=O)OCCS(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H19NO6S/c1-2-24-17(20)14-8-10-15(11-9-14)18(21)25-12-13-26(22,23)19-16-6-4-3-5-7-16/h3-11,19H,2,12-13H2,1H3
InChIKeyXLNUESUZIIMBAC-UHFFFAOYSA-N
XLogP2.46
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[6-(phenylsulfamoyl)hexylamino]benzoate
CID 21163325
ethyl 5-(phenylsulfamoyl)pentanoate
CID 20780460
ethyl benzoate;sulfuryl dichloride
CID 159512060
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4-(benzenesulfonyl)benzoate
CID 134951764
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
CID 158970570
CID 158970570
propyl 4-(2-methylpropylsulfonylamino)benzoate
CID 62999829
butyl 4-(chloromethylsulfonylamino)benzoate
CID 55245248
ethyl 4-[dimethyl(phenyl)silyl]benzoate
CID 86233969
ethyl 4-[[2,4-bis(phenylcarbamoylamino)phenyl]sulfonylamino]benzoate
CID 146421969
ethyl 4-(1,2-benzoxazol-3-ylmethylsulfonylamino)benzoate
CID 90624454

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate?
The IUPAC name of 1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate (CID 174435852) is 1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate.
What is the SMILES notation for 1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate?
The canonical SMILES for 1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate is CCOC(=O)c1ccc(C(=O)OCCS(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate?
The InChIKey is XLNUESUZIIMBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c1-2-24-17(20)14-8-10-15(11-9-14)18(21)25-12-13-26(22,23)19-16-6-4-3-5-7-16/h3-11,19H,2,12-13H2,1H3.
What are the key properties of 1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate?
1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate has a molecular weight of 377.42 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate is sourced from PubChem (CID 174435852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).