4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine

C20H18N2O6S — CID 9280495

IUPAC4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc2ccccc2c1
InChIInChI=1S/C20H18N2O6S/c23-22(24)19-14-18(29(25,26)21-9-11-27-12-10-21)7-8-20(19)28-17-6-5-15-3-1-2-4-16(15)13-17/h1-8,13-14H,9-12H2
InChIKeyJSXBJXDLKKKSSC-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.56
Rot. Bonds5

About 4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine

4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine (PubChem CID 9280495) has the molecular formula C20H18N2O6S and a molecular weight of 414.44 g/mol. Its IUPAC name is 4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine
PubChem CID9280495
Molecular FormulaC20H18N2O6S
Molecular Weight414.44 g/mol
Exact Mass414.09
IUPAC Name4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc2ccccc2c1
InChIInChI=1S/C20H18N2O6S/c23-22(24)19-14-18(29(25,26)21-9-11-27-12-10-21)7-8-20(19)28-17-6-5-15-3-1-2-4-16(15)13-17/h1-8,13-14H,9-12H2
InChIKeyJSXBJXDLKKKSSC-UHFFFAOYSA-N
XLogP3.56
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-iodophenoxy)-3-nitrophenyl]sulfonylmorpholine
CID 71903877
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
4-[4-(2,5-dimethylphenoxy)-3-nitrophenyl]sulfonylmorpholine
CID 4261071
1-[3-nitro-4-(3-phenoxyphenoxy)phenyl]sulfonylpiperidine
CID 3655786
4-[3-nitro-4-(3-phenylpropoxy)phenyl]sulfonylmorpholine
CID 7290604
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823
1-[3-nitro-4-(4-propan-2-ylphenoxy)phenyl]sulfonylpyrrolidine
CID 9196126
2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetic acid
CID 16771112
4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine
CID 7229733
1-methyl-4-[4-(4-methylphenoxy)-3-nitrophenyl]sulfonylpiperazin-1-ium
CID 7860496
1-[4-(4-chloro-3-methylphenoxy)-3-nitrophenyl]sulfonylpyrrolidine
CID 4811299

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine (CID 9280495) is 4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine is O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc2ccccc2c1.
What is the InChIKey of 4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine?
The InChIKey is JSXBJXDLKKKSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S/c23-22(24)19-14-18(29(25,26)21-9-11-27-12-10-21)7-8-20(19)28-17-6-5-15-3-1-2-4-16(15)13-17/h1-8,13-14H,9-12H2.
What are the key properties of 4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine?
4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine has a molecular weight of 414.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine is sourced from PubChem (CID 9280495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).