4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine

C11H13Cl2NO4S — CID 802598

IUPAC4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-17-10-6-9(13)11(7-8(10)12)19(15,16)14-2-4-18-5-3-14/h6-7H,2-5H2,1H3
InChIKeyMBILPMVDWVTUPZ-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.02
Rot. Bonds3

About 4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine

4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine (PubChem CID 802598) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine
PubChem CID802598
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-17-10-6-9(13)11(7-8(10)12)19(15,16)14-2-4-18-5-3-14/h6-7H,2-5H2,1H3
InChIKeyMBILPMVDWVTUPZ-UHFFFAOYSA-N
XLogP2.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine (CID 802598) is 4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine is COc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of 4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine?
The InChIKey is MBILPMVDWVTUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-17-10-6-9(13)11(7-8(10)12)19(15,16)14-2-4-18-5-3-14/h6-7H,2-5H2,1H3.
What are the key properties of 4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine?
4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine has a molecular weight of 326.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloro-4-methoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 802598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).