4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine

C12H16ClNO3S — CID 46596057

IUPAC4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccccc2Cl)C(C)CO1
InChIInChI=1S/C12H16ClNO3S/c1-9-8-17-10(2)7-14(9)18(15,16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3
InChIKeySBYJAZCVTXQKTQ-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.14
Rot. Bonds2

About 4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine

4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine (PubChem CID 46596057) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
PubChem CID46596057
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccccc2Cl)C(C)CO1
InChIInChI=1S/C12H16ClNO3S/c1-9-8-17-10(2)7-14(9)18(15,16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3
InChIKeySBYJAZCVTXQKTQ-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine?
The IUPAC name of 4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine (CID 46596057) is 4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine?
The canonical SMILES for 4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine is CC1CN(S(=O)(=O)c2ccccc2Cl)C(C)CO1.
What is the InChIKey of 4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine?
The InChIKey is SBYJAZCVTXQKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-9-8-17-10(2)7-14(9)18(15,16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine?
4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine has a molecular weight of 289.78 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine is sourced from PubChem (CID 46596057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).