4-(2,4-dinitrophenyl)sulfonylmorpholine

C10H11N3O7S — CID 23730314

IUPAC4-(2,4-dinitrophenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N3O7S/c14-12(15)8-1-2-10(9(7-8)13(16)17)21(18,19)11-3-5-20-6-4-11/h1-2,7H,3-6H2
InChIKeyQQFWUZXYJZUNOE-UHFFFAOYSA-N
MW317.28 g/mol
LogP0.52
Rot. Bonds4

About 4-(2,4-dinitrophenyl)sulfonylmorpholine

4-(2,4-dinitrophenyl)sulfonylmorpholine (PubChem CID 23730314) has the molecular formula C10H11N3O7S and a molecular weight of 317.28 g/mol. Its IUPAC name is 4-(2,4-dinitrophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2,4-dinitrophenyl)sulfonylmorpholine
PubChem CID23730314
Molecular FormulaC10H11N3O7S
Molecular Weight317.28 g/mol
Exact Mass317.03
IUPAC Name4-(2,4-dinitrophenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N3O7S/c14-12(15)8-1-2-10(9(7-8)13(16)17)21(18,19)11-3-5-20-6-4-11/h1-2,7H,3-6H2
InChIKeyQQFWUZXYJZUNOE-UHFFFAOYSA-N
XLogP0.52
TPSA132.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dinitrophenyl)sulfonylmorpholine?
The IUPAC name of 4-(2,4-dinitrophenyl)sulfonylmorpholine (CID 23730314) is 4-(2,4-dinitrophenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2,4-dinitrophenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2,4-dinitrophenyl)sulfonylmorpholine is O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2,4-dinitrophenyl)sulfonylmorpholine?
The InChIKey is QQFWUZXYJZUNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O7S/c14-12(15)8-1-2-10(9(7-8)13(16)17)21(18,19)11-3-5-20-6-4-11/h1-2,7H,3-6H2.
What are the key properties of 4-(2,4-dinitrophenyl)sulfonylmorpholine?
4-(2,4-dinitrophenyl)sulfonylmorpholine has a molecular weight of 317.28 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dinitrophenyl)sulfonylmorpholine is sourced from PubChem (CID 23730314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).