4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine

C17H18INO4S — CID 1300600

IUPAC4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(COc2ccc(I)cc2)cc1)N1CCOCC1
InChIInChI=1S/C17H18INO4S/c18-15-3-5-16(6-4-15)23-13-14-1-7-17(8-2-14)24(20,21)19-9-11-22-12-10-19/h1-8H,9-13H2
InChIKeyAJAPUBKEOAGIHU-UHFFFAOYSA-N
MW459.31 g/mol
LogP2.89
Rot. Bonds5

About 4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine

4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine (PubChem CID 1300600) has the molecular formula C17H18INO4S and a molecular weight of 459.31 g/mol. Its IUPAC name is 4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine
PubChem CID1300600
Molecular FormulaC17H18INO4S
Molecular Weight459.31 g/mol
Exact Mass459.00
IUPAC Name4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(COc2ccc(I)cc2)cc1)N1CCOCC1
InChIInChI=1S/C17H18INO4S/c18-15-3-5-16(6-4-15)23-13-14-1-7-17(8-2-14)24(20,21)19-9-11-22-12-10-19/h1-8H,9-13H2
InChIKeyAJAPUBKEOAGIHU-UHFFFAOYSA-N
XLogP2.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9331341
4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9332672
4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine
CID 167474114
4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine
CID 39413041
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
4-[4-(naphthalen-1-ylmethoxy)phenyl]sulfonylmorpholine
CID 7612861
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-(3-chloropropyl)phenyl]sulfonylmorpholine
CID 28719609
(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2634080
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine (CID 1300600) is 4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(COc2ccc(I)cc2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine?
The InChIKey is AJAPUBKEOAGIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO4S/c18-15-3-5-16(6-4-15)23-13-14-1-7-17(8-2-14)24(20,21)19-9-11-22-12-10-19/h1-8H,9-13H2.
What are the key properties of 4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine?
4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine has a molecular weight of 459.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 1300600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).