N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline

C20H25FN2O4S — CID 55868879

IUPACN-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline
SMILESCCN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C20H25FN2O4S/c1-2-22(18-5-3-4-17(21)16-18)10-15-27-19-6-8-20(9-7-19)28(24,25)23-11-13-26-14-12-23/h3-9,16H,2,10-15H2,1H3
InChIKeyDALFBBOZPRCDGR-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.75
Rot. Bonds8

About N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline

N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline (PubChem CID 55868879) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline
PubChem CID55868879
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC NameN-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline
SMILESCCN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C20H25FN2O4S/c1-2-22(18-5-3-4-17(21)16-18)10-15-27-19-6-8-20(9-7-19)28(24,25)23-11-13-26-14-12-23/h3-9,16H,2,10-15H2,1H3
InChIKeyDALFBBOZPRCDGR-UHFFFAOYSA-N
XLogP2.75
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine
CID 55569720
4-[2-(N-ethyl-3-methylanilino)ethoxy]benzenesulfonic acid
CID 21391324
2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119912747
N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine
CID 18093981
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
1-(2,4-difluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]ethanamine
CID 112804277
3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740101
4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine
CID 39413041
4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9332672
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline?
The IUPAC name of N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline (CID 55868879) is N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline.
What is the SMILES notation for N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline?
The canonical SMILES for N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline is CCN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline?
The InChIKey is DALFBBOZPRCDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-2-22(18-5-3-4-17(21)16-18)10-15-27-19-6-8-20(9-7-19)28(24,25)23-11-13-26-14-12-23/h3-9,16H,2,10-15H2,1H3.
What are the key properties of N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline?
N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline has a molecular weight of 408.50 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline is sourced from PubChem (CID 55868879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).