2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate

C17H18ClNO5S2 — CID 8578378

IUPAC2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate
SMILESNS(=O)(=O)c1ccc(OCCOC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO5S2/c18-13-1-5-15(6-2-13)25-12-9-17(20)24-11-10-23-14-3-7-16(8-4-14)26(19,21)22/h1-8H,9-12H2,(H2,19,21,22)
InChIKeyBZABNFFLQUHBGG-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.09
Rot. Bonds9

About 2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate

2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate (PubChem CID 8578378) has the molecular formula C17H18ClNO5S2 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate
PubChem CID8578378
Molecular FormulaC17H18ClNO5S2
Molecular Weight415.92 g/mol
Exact Mass415.03
IUPAC Name2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate
SMILESNS(=O)(=O)c1ccc(OCCOC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO5S2/c18-13-1-5-15(6-2-13)25-12-9-17(20)24-11-10-23-14-3-7-16(8-4-14)26(19,21)22/h1-8H,9-12H2,(H2,19,21,22)
InChIKeyBZABNFFLQUHBGG-UHFFFAOYSA-N
XLogP3.09
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 40741883
2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate
CID 34429524
butyl 3-(4-chlorophenyl)sulfanylpropanoate
CID 16750592
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate
CID 26970218
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527
2-(4-sulfamoylphenoxy)ethyl 2-chloro-4,5-difluorobenzoate
CID 9229725
2-(4-chlorophenoxy)ethyl hexanoate
CID 13257641
4-[2-(4-chlorophenyl)sulfanylethoxy]benzoic acid
CID 20992125
2-(4-chlorophenoxy)ethyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate
CID 38130843
4-[2-(4-chlorophenyl)sulfanylethoxy]aniline
CID 43174483
2-chloroethyl 3-(4-chlorophenoxy)propanoate
CID 86256389

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate?
The IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate (CID 8578378) is 2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate?
The canonical SMILES for 2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate is NS(=O)(=O)c1ccc(OCCOC(=O)CCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate?
The InChIKey is BZABNFFLQUHBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S2/c18-13-1-5-15(6-2-13)25-12-9-17(20)24-11-10-23-14-3-7-16(8-4-14)26(19,21)22/h1-8H,9-12H2,(H2,19,21,22).
What are the key properties of 2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate?
2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate has a molecular weight of 415.92 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate is sourced from PubChem (CID 8578378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).