4-[3-(chloromethyl)phenyl]sulfonylmorpholine

C11H14ClNO3S — CID 2160995

IUPAC4-[3-(chloromethyl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(CCl)c1)N1CCOCC1
InChIInChI=1S/C11H14ClNO3S/c12-9-10-2-1-3-11(8-10)17(14,15)13-4-6-16-7-5-13/h1-3,8H,4-7,9H2
InChIKeyGGZAEHHVKQQWFO-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.45
Rot. Bonds3

About 4-[3-(chloromethyl)phenyl]sulfonylmorpholine

4-[3-(chloromethyl)phenyl]sulfonylmorpholine (PubChem CID 2160995) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-[3-(chloromethyl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(chloromethyl)phenyl]sulfonylmorpholine
PubChem CID2160995
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name4-[3-(chloromethyl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(CCl)c1)N1CCOCC1
InChIInChI=1S/C11H14ClNO3S/c12-9-10-2-1-3-11(8-10)17(14,15)13-4-6-16-7-5-13/h1-3,8H,4-7,9H2
InChIKeyGGZAEHHVKQQWFO-UHFFFAOYSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(chloromethyl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(chloromethyl)phenyl]sulfonylmorpholine (CID 2160995) is 4-[3-(chloromethyl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(chloromethyl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(chloromethyl)phenyl]sulfonylmorpholine is O=S(=O)(c1cccc(CCl)c1)N1CCOCC1.
What is the InChIKey of 4-[3-(chloromethyl)phenyl]sulfonylmorpholine?
The InChIKey is GGZAEHHVKQQWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c12-9-10-2-1-3-11(8-10)17(14,15)13-4-6-16-7-5-13/h1-3,8H,4-7,9H2.
What are the key properties of 4-[3-(chloromethyl)phenyl]sulfonylmorpholine?
4-[3-(chloromethyl)phenyl]sulfonylmorpholine has a molecular weight of 275.76 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(chloromethyl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 2160995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).