4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine

C16H16N2O6S — CID 1097192

IUPAC4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C16H16N2O6S/c19-18(20)13-1-3-14(4-2-13)24-15-5-7-16(8-6-15)25(21,22)17-9-11-23-12-10-17/h1-8H,9-12H2
InChIKeyISXGYQZVJVNFNR-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.41
Rot. Bonds5

About 4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine

4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine (PubChem CID 1097192) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine
PubChem CID1097192
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C16H16N2O6S/c19-18(20)13-1-3-14(4-2-13)24-15-5-7-16(8-6-15)25(21,22)17-9-11-23-12-10-17/h1-8H,9-12H2
InChIKeyISXGYQZVJVNFNR-UHFFFAOYSA-N
XLogP2.41
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.41
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

5-(Morpholine-4-sulfonyl)-2-phenoxyaniline
CID 3809457
4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide
CID 1116087
4-(4-Ethoxy-3-nitrophenyl)sulfonylmorpholine
CID 4689860
4-(3-Nitro-4-propoxyphenyl)sulfonylmorpholine
CID 4793305
1-(4-Butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 2921330
1-[4-(4-Nitrophenoxy)phenyl]sulfonylpiperidine
CID 1101034
4-ethoxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzenesulfonamide
CID 1085685
4-methoxy-N-[4-(morpholin-4-ylsulfonyl)phenyl]benzenesulfonamide
CID 1144952
4-ethoxy-N-[4-(1-piperidinylsulfonyl)phenyl]benzenesulfonamide
CID 1289924
4-Methyl-1-{[4-(4-nitrophenoxy)phenyl]sulfonyl}piperidine
CID 1379353
4-methoxy-N-[4-(4-morpholinyl)phenyl]-3-nitrobenzenesulfonamide
CID 2880813
N-[2-hydroxy-3-(piperidin-1-yl)propyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 2885020

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine (CID 1097192) is 4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine is O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine?
The InChIKey is ISXGYQZVJVNFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c19-18(20)13-1-3-14(4-2-13)24-15-5-7-16(8-6-15)25(21,22)17-9-11-23-12-10-17/h1-8H,9-12H2.
What are the key properties of 4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine?
4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine has a molecular weight of 364.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-nitrophenoxy)phenyl]sulfonylmorpholine is sourced from PubChem (CID 1097192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).