4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine

C20H21N3O4S — CID 167474114

IUPAC4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(COc2ccc(-c3cnc[nH]3)cc2)cc1)N1CCOCC1
InChIInChI=1S/C20H21N3O4S/c24-28(25,23-9-11-26-12-10-23)19-7-1-16(2-8-19)14-27-18-5-3-17(4-6-18)20-13-21-15-22-20/h1-8,13,15H,9-12,14H2,(H,21,22)
InChIKeyNLZUABVJBMHVNM-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.68
Rot. Bonds6

About 4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine

4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine (PubChem CID 167474114) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine
PubChem CID167474114
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(COc2ccc(-c3cnc[nH]3)cc2)cc1)N1CCOCC1
InChIInChI=1S/C20H21N3O4S/c24-28(25,23-9-11-26-12-10-23)19-7-1-16(2-8-19)14-27-18-5-3-17(4-6-18)20-13-21-15-22-20/h1-8,13,15H,9-12,14H2,(H,21,22)
InChIKeyNLZUABVJBMHVNM-UHFFFAOYSA-N
XLogP2.68
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9331341
4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine
CID 1300600
4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9332672
4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine
CID 39413041
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
4-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]sulfonylmorpholine
CID 39413047
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
4-[4-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]phenyl]sulfonylmorpholine
CID 27353183
4-[4-(naphthalen-1-ylmethoxy)phenyl]sulfonylmorpholine
CID 7612861
4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 46329228
4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine
CID 56539542
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 28563195

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine (CID 167474114) is 4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(COc2ccc(-c3cnc[nH]3)cc2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine?
The InChIKey is NLZUABVJBMHVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-28(25,23-9-11-26-12-10-23)19-7-1-16(2-8-19)14-27-18-5-3-17(4-6-18)20-13-21-15-22-20/h1-8,13,15H,9-12,14H2,(H,21,22).
What are the key properties of 4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine?
4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine has a molecular weight of 399.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 167474114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).