2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate

C19H19Cl2NO6S — CID 2646093

IUPAC2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCCOc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO6S/c20-16-13-17(21)18(29(24,25)22-6-8-26-9-7-22)12-15(16)19(23)28-11-10-27-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2
InChIKeyDSRPDFGWBNLOPV-UHFFFAOYSA-N
MW460.34 g/mol
LogP3.25
Rot. Bonds7

About 2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate

2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2646093) has the molecular formula C19H19Cl2NO6S and a molecular weight of 460.34 g/mol. Its IUPAC name is 2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2646093
Molecular FormulaC19H19Cl2NO6S
Molecular Weight460.34 g/mol
Exact Mass459.03
IUPAC Name2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCCOc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO6S/c20-16-13-17(21)18(29(24,25)22-6-8-26-9-7-22)12-15(16)19(23)28-11-10-27-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2
InChIKeyDSRPDFGWBNLOPV-UHFFFAOYSA-N
XLogP3.25
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-Fluoro-4-methoxyphenyl)methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 2628354
2-Phenoxyethyl 3-morpholin-4-ylsulfonylbenzoate
CID 2640663
2-(2-Fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 3952581
2-(3-Chlorophenoxy)ethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16285042
(2,3-Dimethoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 25161561
[4-(2-Methoxy-2-oxoethyl)phenyl] 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonylbenzoate
CID 25163683
2-(4-Methoxyphenoxy)ethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 2646099
2-(3-Chlorophenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16279509
2-Phenoxyethyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16355559
2-(3-Chlorophenoxy)ethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521349
2-(3-Chlorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530462
2-(3-Chlorophenoxy)ethyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 16532330

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of 2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (CID 2646093) is 2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for 2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for 2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is O=C(OCCOc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is DSRPDFGWBNLOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO6S/c20-16-13-17(21)18(29(24,25)22-6-8-26-9-7-22)12-15(16)19(23)28-11-10-27-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2.
What are the key properties of 2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 460.34 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2646093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).