4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine

C12H15ClFNO3S — CID 17451121

IUPAC4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)cc2F)CC(C)O1
InChIInChI=1S/C12H15ClFNO3S/c1-8-6-15(7-9(2)18-8)19(16,17)12-4-3-10(13)5-11(12)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyXALCOQWQEWAIBY-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.28
Rot. Bonds2

About 4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine

4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 17451121) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID17451121
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)cc2F)CC(C)O1
InChIInChI=1S/C12H15ClFNO3S/c1-8-6-15(7-9(2)18-8)19(16,17)12-4-3-10(13)5-11(12)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyXALCOQWQEWAIBY-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine (CID 17451121) is 4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)c2ccc(Cl)cc2F)CC(C)O1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is XALCOQWQEWAIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c1-8-6-15(7-9(2)18-8)19(16,17)12-4-3-10(13)5-11(12)14/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 307.77 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 17451121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).