2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine

C18H20N2O5S — CID 110364088

IUPAC2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine
SMILESCCc1ccc(C2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCO2)cc1
InChIInChI=1S/C18H20N2O5S/c1-2-14-6-8-15(9-7-14)18-13-19(10-11-25-18)26(23,24)17-5-3-4-16(12-17)20(21)22/h3-9,12,18H,2,10-11,13H2,1H3
InChIKeyBLLXJQUYPTVKNK-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.92
Rot. Bonds5

About 2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine

2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine (PubChem CID 110364088) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine
PubChem CID110364088
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine
SMILESCCc1ccc(C2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCO2)cc1
InChIInChI=1S/C18H20N2O5S/c1-2-14-6-8-15(9-7-14)18-13-19(10-11-25-18)26(23,24)17-5-3-4-16(12-17)20(21)22/h3-9,12,18H,2,10-11,13H2,1H3
InChIKeyBLLXJQUYPTVKNK-UHFFFAOYSA-N
XLogP2.92
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364061
2-(3-chlorophenyl)-4-(4-ethylphenyl)sulfonylmorpholine
CID 110327021
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine
CID 110369292
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
4,4-dimethyl-1-(3-nitrophenyl)sulfonylpiperidine
CID 110738697
(3S)-3-methyl-1-(3-nitrophenyl)sulfonylpiperazine
CID 104976600
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 5301615
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
CID 110364059
1-methyl-4-(3-nitrophenyl)sulfonylpiperazin-1-ium
CID 7324404

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine?
The IUPAC name of 2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine (CID 110364088) is 2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine.
What is the SMILES notation for 2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine?
The canonical SMILES for 2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine is CCc1ccc(C2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCO2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine?
The InChIKey is BLLXJQUYPTVKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-2-14-6-8-15(9-7-14)18-13-19(10-11-25-18)26(23,24)17-5-3-4-16(12-17)20(21)22/h3-9,12,18H,2,10-11,13H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine?
2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine has a molecular weight of 376.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine is sourced from PubChem (CID 110364088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).