4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine

C12H15ClFNO3S — CID 2938439

IUPAC4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC(C)O1
InChIInChI=1S/C12H15ClFNO3S/c1-8-6-15(7-9(2)18-8)19(16,17)10-3-4-12(14)11(13)5-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyIOZYRZNCGGWASF-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.28
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine

4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 2938439) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID2938439
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC(C)O1
InChIInChI=1S/C12H15ClFNO3S/c1-8-6-15(7-9(2)18-8)19(16,17)10-3-4-12(14)11(13)5-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyIOZYRZNCGGWASF-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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Related Compounds

(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
1-(3-chloro-4-fluorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872347
(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411226
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 82844225
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine
CID 104958532
5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluorobenzoic acid
CID 43078608
[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
CID 107090579
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine (CID 2938439) is 4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC(C)O1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is IOZYRZNCGGWASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c1-8-6-15(7-9(2)18-8)19(16,17)10-3-4-12(14)11(13)5-10/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
4-(3-chloro-4-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-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2938439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).