4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine

C12H16ClNO3S — CID 970246

IUPAC4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine
SMILESCc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1Cl
InChIInChI=1S/C12H16ClNO3S/c1-9-8-12(10(2)7-11(9)13)18(15,16)14-3-5-17-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyAOJPYUYSKMXVCT-UHFFFAOYSA-N
MW289.78 g/mol
LogP1.98
Rot. Bonds2

About 4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine

4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine (PubChem CID 970246) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine
PubChem CID970246
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine
SMILESCc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1Cl
InChIInChI=1S/C12H16ClNO3S/c1-9-8-12(10(2)7-11(9)13)18(15,16)14-3-5-17-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyAOJPYUYSKMXVCT-UHFFFAOYSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine (CID 970246) is 4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine is Cc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1Cl.
What is the InChIKey of 4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine?
The InChIKey is AOJPYUYSKMXVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-9-8-12(10(2)7-11(9)13)18(15,16)14-3-5-17-6-4-14/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine?
4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine has a molecular weight of 289.78 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,5-dimethylphenyl)sulfonylmorpholine is sourced from PubChem (CID 970246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).