4-[(2-chlorophenyl)methylsulfonyl]morpholine

C11H14ClNO3S — CID 580444

IUPAC4-[(2-chlorophenyl)methylsulfonyl]morpholine
SMILESO=S(=O)(Cc1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C11H14ClNO3S/c12-11-4-2-1-3-10(11)9-17(14,15)13-5-7-16-8-6-13/h1-4H,5-9H2
InChIKeyOKYOYQQBBQPMHN-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.50
Rot. Bonds3

About 4-[(2-chlorophenyl)methylsulfonyl]morpholine

4-[(2-chlorophenyl)methylsulfonyl]morpholine (PubChem CID 580444) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylsulfonyl]morpholine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylsulfonyl]morpholine
PubChem CID580444
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name4-[(2-chlorophenyl)methylsulfonyl]morpholine
SMILESO=S(=O)(Cc1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C11H14ClNO3S/c12-11-4-2-1-3-10(11)9-17(14,15)13-5-7-16-8-6-13/h1-4H,5-9H2
InChIKeyOKYOYQQBBQPMHN-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylsulfonyl]morpholine?
The IUPAC name of 4-[(2-chlorophenyl)methylsulfonyl]morpholine (CID 580444) is 4-[(2-chlorophenyl)methylsulfonyl]morpholine.
What is the SMILES notation for 4-[(2-chlorophenyl)methylsulfonyl]morpholine?
The canonical SMILES for 4-[(2-chlorophenyl)methylsulfonyl]morpholine is O=S(=O)(Cc1ccccc1Cl)N1CCOCC1.
What is the InChIKey of 4-[(2-chlorophenyl)methylsulfonyl]morpholine?
The InChIKey is OKYOYQQBBQPMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c12-11-4-2-1-3-10(11)9-17(14,15)13-5-7-16-8-6-13/h1-4H,5-9H2.
What are the key properties of 4-[(2-chlorophenyl)methylsulfonyl]morpholine?
4-[(2-chlorophenyl)methylsulfonyl]morpholine has a molecular weight of 275.76 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylsulfonyl]morpholine is sourced from PubChem (CID 580444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).