4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine

C16H15IN2O6S — CID 71903877

IUPAC4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1cccc(I)c1
InChIInChI=1S/C16H15IN2O6S/c17-12-2-1-3-13(10-12)25-16-5-4-14(11-15(16)19(20)21)26(22,23)18-6-8-24-9-7-18/h1-5,10-11H,6-9H2
InChIKeyJOSMIUQLOWUPBZ-UHFFFAOYSA-N
MW490.28 g/mol
LogP3.01
Rot. Bonds5

About 4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine

4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine (PubChem CID 71903877) has the molecular formula C16H15IN2O6S and a molecular weight of 490.28 g/mol. Its IUPAC name is 4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine
PubChem CID71903877
Molecular FormulaC16H15IN2O6S
Molecular Weight490.28 g/mol
Exact Mass489.97
IUPAC Name4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1cccc(I)c1
InChIInChI=1S/C16H15IN2O6S/c17-12-2-1-3-13(10-12)25-16-5-4-14(11-15(16)19(20)21)26(22,23)18-6-8-24-9-7-18/h1-5,10-11H,6-9H2
InChIKeyJOSMIUQLOWUPBZ-UHFFFAOYSA-N
XLogP3.01
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine
CID 9280495
4-[4-(2,3-dihydro-1H-inden-5-yloxy)-3-nitrophenyl]sulfonylmorpholine
CID 4789878
[4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone
CID 3419946
1-[3-nitro-4-(3-phenoxyphenoxy)phenyl]sulfonylpiperidine
CID 3655786
4-[4-(2,5-dimethylphenoxy)-3-nitrophenyl]sulfonylmorpholine
CID 4261071
1-[4-(3-fluorophenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperidine
CID 9279486
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823
2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetic acid
CID 16771112
4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine
CID 7229733
4-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 4804834
4-[3-nitro-4-(3-phenylpropoxy)phenyl]sulfonylmorpholine
CID 7290604
2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylaniline
CID 3368163

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine (CID 71903877) is 4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine is O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1cccc(I)c1.
What is the InChIKey of 4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine?
The InChIKey is JOSMIUQLOWUPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O6S/c17-12-2-1-3-13(10-12)25-16-5-4-14(11-15(16)19(20)21)26(22,23)18-6-8-24-9-7-18/h1-5,10-11H,6-9H2.
What are the key properties of 4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine?
4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine has a molecular weight of 490.28 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine is sourced from PubChem (CID 71903877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).