4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine

C22H24ClN3O4S — CID 141085109

IUPAC4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine
SMILESCS(=O)(=O)c1ccc(-n2ccnc2-c2ccc(OCCN3CCOCC3)cc2Cl)cc1
InChIInChI=1S/C22H24ClN3O4S/c1-31(27,28)19-5-2-17(3-6-19)26-9-8-24-22(26)20-7-4-18(16-21(20)23)30-15-12-25-10-13-29-14-11-25/h2-9,16H,10-15H2,1H3
InChIKeyRWPMXGKSAPLJJM-UHFFFAOYSA-N
MW461.97 g/mol
LogP3.31
Rot. Bonds7

About 4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine

4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine (PubChem CID 141085109) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is 4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine
PubChem CID141085109
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC Name4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine
SMILESCS(=O)(=O)c1ccc(-n2ccnc2-c2ccc(OCCN3CCOCC3)cc2Cl)cc1
InChIInChI=1S/C22H24ClN3O4S/c1-31(27,28)19-5-2-17(3-6-19)26-9-8-24-22(26)20-7-4-18(16-21(20)23)30-15-12-25-10-13-29-14-11-25/h2-9,16H,10-15H2,1H3
InChIKeyRWPMXGKSAPLJJM-UHFFFAOYSA-N
XLogP3.31
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine (CID 141085109) is 4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine is CS(=O)(=O)c1ccc(-n2ccnc2-c2ccc(OCCN3CCOCC3)cc2Cl)cc1.
What is the InChIKey of 4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine?
The InChIKey is RWPMXGKSAPLJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c1-31(27,28)19-5-2-17(3-6-19)26-9-8-24-22(26)20-7-4-18(16-21(20)23)30-15-12-25-10-13-29-14-11-25/h2-9,16H,10-15H2,1H3.
What are the key properties of 4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine?
4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine has a molecular weight of 461.97 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-chloro-4-[1-(4-methylsulfonylphenyl)imidazol-2-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 141085109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).