phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

C19H21NO5S — CID 2572948

IUPACphenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Oc1ccccc1
InChIInChI=1S/C19H21NO5S/c21-19(25-17-4-2-1-3-5-17)11-8-16-6-9-18(10-7-16)26(22,23)20-12-14-24-15-13-20/h1-7,9-10H,8,11-15H2
InChIKeyYLXUHMSOWHVCIS-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.25
Rot. Bonds6

About phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (PubChem CID 2572948) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.

Molecular Properties

Compound Namephenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
PubChem CID2572948
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Namephenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Oc1ccccc1
InChIInChI=1S/C19H21NO5S/c21-19(25-17-4-2-1-3-5-17)11-8-16-6-9-18(10-7-16)26(22,23)20-12-14-24-15-13-20/h1-7,9-10H,8,11-15H2
InChIKeyYLXUHMSOWHVCIS-UHFFFAOYSA-N
XLogP2.25
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The IUPAC name of phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (CID 2572948) is phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.
What is the SMILES notation for phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The canonical SMILES for phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Oc1ccccc1.
What is the InChIKey of phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The InChIKey is YLXUHMSOWHVCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c21-19(25-17-4-2-1-3-5-17)11-8-16-6-9-18(10-7-16)26(22,23)20-12-14-24-15-13-20/h1-7,9-10H,8,11-15H2.
What are the key properties of phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate has a molecular weight of 375.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is sourced from PubChem (CID 2572948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).