(2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

C19H19BrClNO5S — CID 26664818

IUPAC(2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C19H19BrClNO5S/c20-17-13-15(21)4-7-18(17)27-19(23)8-3-14-1-5-16(6-2-14)28(24,25)22-9-11-26-12-10-22/h1-2,4-7,13H,3,8-12H2
InChIKeyVELKFPYARPVYPM-UHFFFAOYSA-N
MW488.79 g/mol
LogP3.66
Rot. Bonds6

About (2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

(2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (PubChem CID 26664818) has the molecular formula C19H19BrClNO5S and a molecular weight of 488.79 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
PubChem CID26664818
Molecular FormulaC19H19BrClNO5S
Molecular Weight488.79 g/mol
Exact Mass486.99
IUPAC Name(2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C19H19BrClNO5S/c20-17-13-15(21)4-7-18(17)27-19(23)8-3-14-1-5-16(6-2-14)28(24,25)22-9-11-26-12-10-22/h1-2,4-7,13H,3,8-12H2
InChIKeyVELKFPYARPVYPM-UHFFFAOYSA-N
XLogP3.66
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.79
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316342
N-(4-bromo-2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26239683
(4-methylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 7824832
(2-bromophenyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1127061
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 8761529
N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26536910
N'-(4-chlorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127021
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
(2-methoxyphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 8761548
(2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 29352401
5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126282
2-(4-chloro-2-fluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)acetic acid
CID 66616666

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The IUPAC name of (2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (CID 26664818) is (2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.
What is the SMILES notation for (2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The canonical SMILES for (2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Oc1ccc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The InChIKey is VELKFPYARPVYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClNO5S/c20-17-13-15(21)4-7-18(17)27-19(23)8-3-14-1-5-16(6-2-14)28(24,25)22-9-11-26-12-10-22/h1-2,4-7,13H,3,8-12H2.
What are the key properties of (2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
(2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate has a molecular weight of 488.79 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is sourced from PubChem (CID 26664818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).