ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate

C18H19NO7S — CID 1308869

IUPACethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)OC)cc2)cc1
InChIInChI=1S/C18H19NO7S/c1-3-25-18(21)13-4-6-14(7-5-13)19-27(22,23)16-10-8-15(9-11-16)26-12-17(20)24-2/h4-11,19H,3,12H2,1-2H3
InChIKeyFCEIFBBUIBVPKY-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.22
Rot. Bonds8

About ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate

ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate (PubChem CID 1308869) has the molecular formula C18H19NO7S and a molecular weight of 393.42 g/mol. Its IUPAC name is ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate
PubChem CID1308869
Molecular FormulaC18H19NO7S
Molecular Weight393.42 g/mol
Exact Mass393.09
IUPAC Nameethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)OC)cc2)cc1
InChIInChI=1S/C18H19NO7S/c1-3-25-18(21)13-4-6-14(7-5-13)19-27(22,23)16-10-8-15(9-11-16)26-12-17(20)24-2/h4-11,19H,3,12H2,1-2H3
InChIKeyFCEIFBBUIBVPKY-UHFFFAOYSA-N
XLogP2.22
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate (CID 1308869) is ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)OC)cc2)cc1.
What is the InChIKey of ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate?
The InChIKey is FCEIFBBUIBVPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO7S/c1-3-25-18(21)13-4-6-14(7-5-13)19-27(22,23)16-10-8-15(9-11-16)26-12-17(20)24-2/h4-11,19H,3,12H2,1-2H3.
What are the key properties of ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate?
ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate has a molecular weight of 393.42 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 1308869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).