4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine

C24H32N2O7S2 — CID 1099236

IUPAC4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine
SMILESO=S(=O)(CCN1CCOCC1)c1ccc(Oc2ccc(S(=O)(=O)CCN3CCOCC3)cc2)cc1
InChIInChI=1S/C24H32N2O7S2/c27-34(28,19-13-25-9-15-31-16-10-25)23-5-1-21(2-6-23)33-22-3-7-24(8-4-22)35(29,30)20-14-26-11-17-32-18-12-26/h1-8H,9-20H2
InChIKeyPCUVKQPOGOOBGR-UHFFFAOYSA-N
MW524.66 g/mol
LogP1.69
Rot. Bonds10

About 4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine

4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine (PubChem CID 1099236) has the molecular formula C24H32N2O7S2 and a molecular weight of 524.66 g/mol. Its IUPAC name is 4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine
PubChem CID1099236
Molecular FormulaC24H32N2O7S2
Molecular Weight524.66 g/mol
Exact Mass524.17
IUPAC Name4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine
SMILESO=S(=O)(CCN1CCOCC1)c1ccc(Oc2ccc(S(=O)(=O)CCN3CCOCC3)cc2)cc1
InChIInChI=1S/C24H32N2O7S2/c27-34(28,19-13-25-9-15-31-16-10-25)23-5-1-21(2-6-23)33-22-3-7-24(8-4-22)35(29,30)20-14-26-11-17-32-18-12-26/h1-8H,9-20H2
InChIKeyPCUVKQPOGOOBGR-UHFFFAOYSA-N
XLogP1.69
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.66
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone
CID 82165517
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline
CID 81202042
4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
CID 3029441
4-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]morpholine
CID 139839803
1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine
CID 154455916
4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
CID 1257549
4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42700349
1-[2-(benzenesulfonyl)ethyl]pyrrolidine;hydrochloride
CID 117068077
tert-butyl 4-[5-[[4-(2-morpholin-4-ylethylsulfonyl)phenyl]methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
CID 51030808
methyl 2-morpholin-4-ylethanesulfonate
CID 15145735
4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane
CID 139746766

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine?
The IUPAC name of 4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine (CID 1099236) is 4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine?
The canonical SMILES for 4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine is O=S(=O)(CCN1CCOCC1)c1ccc(Oc2ccc(S(=O)(=O)CCN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine?
The InChIKey is PCUVKQPOGOOBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O7S2/c27-34(28,19-13-25-9-15-31-16-10-25)23-5-1-21(2-6-23)33-22-3-7-24(8-4-22)35(29,30)20-14-26-11-17-32-18-12-26/h1-8H,9-20H2.
What are the key properties of 4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine?
4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine has a molecular weight of 524.66 g/mol, XLogP of 1.69, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine is sourced from PubChem (CID 1099236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).