2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate

C17H16ClNO5S — CID 9285858

IUPAC2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESNS(=O)(=O)c1ccc(OCCOC(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO5S/c18-16-4-2-1-3-13(16)5-10-17(20)24-12-11-23-14-6-8-15(9-7-14)25(19,21)22/h1-10H,11-12H2,(H2,19,21,22)/b10-5+
InChIKeyNCNLIBJLDBUOBP-BJMVGYQFSA-N
MW381.84 g/mol
LogP2.62
Rot. Bonds7

About 2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate

2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate (PubChem CID 9285858) has the molecular formula C17H16ClNO5S and a molecular weight of 381.84 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate
PubChem CID9285858
Molecular FormulaC17H16ClNO5S
Molecular Weight381.84 g/mol
Exact Mass381.04
IUPAC Name2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESNS(=O)(=O)c1ccc(OCCOC(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO5S/c18-16-4-2-1-3-13(16)5-10-17(20)24-12-11-23-14-6-8-15(9-7-14)25(19,21)22/h1-10H,11-12H2,(H2,19,21,22)/b10-5+
InChIKeyNCNLIBJLDBUOBP-BJMVGYQFSA-N
XLogP2.62
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate
CID 4980822
2-(4-sulfamoylphenoxy)ethyl (E)-3-(3-methylphenyl)prop-2-enoate
CID 8568710
2-(4-sulfamoylphenoxy)ethyl (E)-3-quinolin-2-ylprop-2-enoate
CID 8848396
2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2543840
(E)-3-(2-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 1346266
amino (E)-3-(2-chlorophenyl)prop-2-enoate
CID 10012953
2-(4-sulfamoylphenoxy)ethyl 2-chloro-4,5-difluorobenzoate
CID 9229725
3-[2-[2-(4-chlorophenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20994228
2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate
CID 8568254
2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921217
2-phenoxyethyl 3-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoate
CID 5027117
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate?
The IUPAC name of 2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate (CID 9285858) is 2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate?
The canonical SMILES for 2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate is NS(=O)(=O)c1ccc(OCCOC(=O)/C=C/c2ccccc2Cl)cc1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate?
The InChIKey is NCNLIBJLDBUOBP-BJMVGYQFSA-N. The full InChI is InChI=1S/C17H16ClNO5S/c18-16-4-2-1-3-13(16)5-10-17(20)24-12-11-23-14-6-8-15(9-7-14)25(19,21)22/h1-10H,11-12H2,(H2,19,21,22)/b10-5+.
What are the key properties of 2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate?
2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate has a molecular weight of 381.84 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 9285858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).