4-(2-methyl-5-nitrophenyl)sulfonylmorpholine

C11H14N2O5S — CID 2877015

IUPAC4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H14N2O5S/c1-9-2-3-10(13(14)15)8-11(9)19(16,17)12-4-6-18-7-5-12/h2-3,8H,4-7H2,1H3
InChIKeyRAXMLADXHCSONC-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.92
Rot. Bonds3

About 4-(2-methyl-5-nitrophenyl)sulfonylmorpholine

4-(2-methyl-5-nitrophenyl)sulfonylmorpholine (PubChem CID 2877015) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-(2-methyl-5-nitrophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
PubChem CID2877015
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H14N2O5S/c1-9-2-3-10(13(14)15)8-11(9)19(16,17)12-4-6-18-7-5-12/h2-3,8H,4-7H2,1H3
InChIKeyRAXMLADXHCSONC-UHFFFAOYSA-N
XLogP0.92
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.92
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-nitrophenyl)sulfonylmorpholine?
The IUPAC name of 4-(2-methyl-5-nitrophenyl)sulfonylmorpholine (CID 2877015) is 4-(2-methyl-5-nitrophenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2-methyl-5-nitrophenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2-methyl-5-nitrophenyl)sulfonylmorpholine is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(2-methyl-5-nitrophenyl)sulfonylmorpholine?
The InChIKey is RAXMLADXHCSONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-9-2-3-10(13(14)15)8-11(9)19(16,17)12-4-6-18-7-5-12/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(2-methyl-5-nitrophenyl)sulfonylmorpholine?
4-(2-methyl-5-nitrophenyl)sulfonylmorpholine has a molecular weight of 286.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-nitrophenyl)sulfonylmorpholine is sourced from PubChem (CID 2877015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).