2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride

C16H22ClNO5S — CID 22994156

IUPAC2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride
SMILESCCOc1ccc(C(CC)C(=O)Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H22ClNO5S/c1-3-13(16(17)19)12-5-6-14(23-4-2)15(11-12)24(20,21)18-7-9-22-10-8-18/h5-6,11,13H,3-4,7-10H2,1-2H3
InChIKeyFLBFSXMLZFKKTD-UHFFFAOYSA-N
MW375.87 g/mol
LogP2.37
Rot. Bonds7

About 2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride

2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride (PubChem CID 22994156) has the molecular formula C16H22ClNO5S and a molecular weight of 375.87 g/mol. Its IUPAC name is 2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride.

Molecular Properties

Compound Name2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride
PubChem CID22994156
Molecular FormulaC16H22ClNO5S
Molecular Weight375.87 g/mol
Exact Mass375.09
IUPAC Name2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride
SMILESCCOc1ccc(C(CC)C(=O)Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H22ClNO5S/c1-3-13(16(17)19)12-5-6-14(23-4-2)15(11-12)24(20,21)18-7-9-22-10-8-18/h5-6,11,13H,3-4,7-10H2,1-2H3
InChIKeyFLBFSXMLZFKKTD-UHFFFAOYSA-N
XLogP2.37
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride 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

(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide
CID 119693241
3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119693225
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-2-phenylpropanamide
CID 46532531
1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine
CID 91670220
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide
CID 30147306
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 21174722
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide
CID 39776409
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9050102
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 30147244
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24644740
3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4849315

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride?
The IUPAC name of 2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride (CID 22994156) is 2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride.
What is the SMILES notation for 2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride?
The canonical SMILES for 2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride is CCOc1ccc(C(CC)C(=O)Cl)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride?
The InChIKey is FLBFSXMLZFKKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO5S/c1-3-13(16(17)19)12-5-6-14(23-4-2)15(11-12)24(20,21)18-7-9-22-10-8-18/h5-6,11,13H,3-4,7-10H2,1-2H3.
What are the key properties of 2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride?
2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride has a molecular weight of 375.87 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride is sourced from PubChem (CID 22994156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).