4-(4-chloro-3-nitrophenyl)sulfonylmorpholine

C10H11ClN2O5S — CID 2777378

IUPAC4-(4-chloro-3-nitrophenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C10H11ClN2O5S/c11-9-2-1-8(7-10(9)13(14)15)19(16,17)12-3-5-18-6-4-12/h1-2,7H,3-6H2
InChIKeyZWXQXPHBRFHIRB-UHFFFAOYSA-N
MW306.73 g/mol
LogP1.27
Rot. Bonds3

About 4-(4-chloro-3-nitrophenyl)sulfonylmorpholine

4-(4-chloro-3-nitrophenyl)sulfonylmorpholine (PubChem CID 2777378) has the molecular formula C10H11ClN2O5S and a molecular weight of 306.73 g/mol. Its IUPAC name is 4-(4-chloro-3-nitrophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-3-nitrophenyl)sulfonylmorpholine
PubChem CID2777378
Molecular FormulaC10H11ClN2O5S
Molecular Weight306.73 g/mol
Exact Mass306.01
IUPAC Name4-(4-chloro-3-nitrophenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C10H11ClN2O5S/c11-9-2-1-8(7-10(9)13(14)15)19(16,17)12-3-5-18-6-4-12/h1-2,7H,3-6H2
InChIKeyZWXQXPHBRFHIRB-UHFFFAOYSA-N
XLogP1.27
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 51.27
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-nitrophenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-chloro-3-nitrophenyl)sulfonylmorpholine (CID 2777378) is 4-(4-chloro-3-nitrophenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-chloro-3-nitrophenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-chloro-3-nitrophenyl)sulfonylmorpholine is O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-nitrophenyl)sulfonylmorpholine?
The InChIKey is ZWXQXPHBRFHIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O5S/c11-9-2-1-8(7-10(9)13(14)15)19(16,17)12-3-5-18-6-4-12/h1-2,7H,3-6H2.
What are the key properties of 4-(4-chloro-3-nitrophenyl)sulfonylmorpholine?
4-(4-chloro-3-nitrophenyl)sulfonylmorpholine has a molecular weight of 306.73 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-nitrophenyl)sulfonylmorpholine is sourced from PubChem (CID 2777378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).