4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine

C18H27ClN2O6S2 — CID 2909375

IUPAC4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)CC(C)O1
InChIInChI=1S/C18H27ClN2O6S2/c1-12-8-20(9-13(2)26-12)28(22,23)16-5-6-17(19)18(7-16)29(24,25)21-10-14(3)27-15(4)11-21/h5-7,12-15H,8-11H2,1-4H3
InChIKeyKYFIKTBEIFAWKT-UHFFFAOYSA-N
MW467.01 g/mol
LogP1.94
Rot. Bonds4

About 4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine

4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine (PubChem CID 2909375) has the molecular formula C18H27ClN2O6S2 and a molecular weight of 467.01 g/mol. Its IUPAC name is 4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine
PubChem CID2909375
Molecular FormulaC18H27ClN2O6S2
Molecular Weight467.01 g/mol
Exact Mass466.10
IUPAC Name4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)CC(C)O1
InChIInChI=1S/C18H27ClN2O6S2/c1-12-8-20(9-13(2)26-12)28(22,23)16-5-6-17(19)18(7-16)29(24,25)21-10-14(3)27-15(4)11-21/h5-7,12-15H,8-11H2,1-4H3
InChIKeyKYFIKTBEIFAWKT-UHFFFAOYSA-N
XLogP1.94
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.01
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine with MolForge

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Related Compounds

4-(4-Chloro-benzenesulfonyl)-morpholine
CID 255686
4-(2-Chlorobenzenesulfonyl)morpholine
CID 7938037
Cambridge id 6665938
CID 1324132
4-(3-Chlorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2940095
4-((2,6-Dichlorophenyl)sulfonyl)-2,6-dimethylmorpholine
CID 4657784
1-(4-Chlorophenyl)sulfonyl-3-ethoxypiperidine
CID 42656423
4-{1-[(4-Chlorophenyl)sulfonyl]-4-piperidinyl}morpholine
CID 806639
4-[(4-Chlorophenyl)sulfonyl]-2,6-dimethylmorpholine
CID 3944365
4-chloro-N-(methyl-morpholin-4-yl-oxo-lambda6-sulfanylidene)benzenesulfonamide
CID 134929117
4-(2-Chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 3851177
4-(4-Chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 17451121
(2R,6R)-4-(4-chloro-2-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 25958666

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine (CID 2909375) is 4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)c2ccc(Cl)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)CC(C)O1.
What is the InChIKey of 4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine?
The InChIKey is KYFIKTBEIFAWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O6S2/c1-12-8-20(9-13(2)26-12)28(22,23)16-5-6-17(19)18(7-16)29(24,25)21-10-14(3)27-15(4)11-21/h5-7,12-15H,8-11H2,1-4H3.
What are the key properties of 4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine?
4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine has a molecular weight of 467.01 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2909375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).