4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide

C20H25FN2O4S — CID 16890649

IUPAC4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2ccc(N3CCOCC3)cc2)cc1F
InChIInChI=1S/C20H25FN2O4S/c1-2-27-20-8-7-18(15-19(20)21)28(24,25)22-10-9-16-3-5-17(6-4-16)23-11-13-26-14-12-23/h3-8,15,22H,2,9-14H2,1H3
InChIKeyCJPBQQXITNJOQZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.58
Rot. Bonds8

About 4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide

4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide (PubChem CID 16890649) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
PubChem CID16890649
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2ccc(N3CCOCC3)cc2)cc1F
InChIInChI=1S/C20H25FN2O4S/c1-2-27-20-8-7-18(15-19(20)21)28(24,25)22-10-9-16-3-5-17(6-4-16)23-11-13-26-14-12-23/h3-8,15,22H,2,9-14H2,1H3
InChIKeyCJPBQQXITNJOQZ-UHFFFAOYSA-N
XLogP2.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891028
3,4-dimethoxy-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890585
4-ethoxy-3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16890546
3-fluoro-4-methoxy-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890284
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 42388899
N-[3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]propyl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 42388898
3-fluoro-4-methoxy-N-[3-(4-piperidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16891167
N-[2-(4-morpholin-4-ylphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110405037
4-ethoxy-3-methyl-N-[3-(4-piperidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16891183
5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126282
3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 9030518
4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 110758068

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide (CID 16890649) is 4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCc2ccc(N3CCOCC3)cc2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide?
The InChIKey is CJPBQQXITNJOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-2-27-20-8-7-18(15-19(20)21)28(24,25)22-10-9-16-3-5-17(6-4-16)23-11-13-26-14-12-23/h3-8,15,22H,2,9-14H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide?
4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide has a molecular weight of 408.50 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16890649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).