4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile

C13H15FN2O3S — CID 107327297

IUPAC4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCOC(C#N)C1
InChIInChI=1S/C13H15FN2O3S/c1-9-5-11(14)6-10(2)13(9)20(17,18)16-3-4-19-12(7-15)8-16/h5-6,12H,3-4,8H2,1-2H3
InChIKeyAEEAUELGWSEUFX-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.36
Rot. Bonds2

About 4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile

4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile (PubChem CID 107327297) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile
PubChem CID107327297
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCOC(C#N)C1
InChIInChI=1S/C13H15FN2O3S/c1-9-5-11(14)6-10(2)13(9)20(17,18)16-3-4-19-12(7-15)8-16/h5-6,12H,3-4,8H2,1-2H3
InChIKeyAEEAUELGWSEUFX-UHFFFAOYSA-N
XLogP1.36
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride
CID 120712882
4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carbonitrile
CID 79675035
4-(5-amino-4-bromo-2-fluorophenyl)sulfonylmorpholine-2-carbonitrile
CID 116530479
4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile
CID 78946237
4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile
CID 78946042
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine
CID 107326755
4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79674215
3-(2-cyanomorpholin-4-yl)sulfonylbenzoic acid
CID 79675140
4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile
CID 79674690
4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile
CID 79676555
1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine
CID 107327150
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 107327036

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile?
The IUPAC name of 4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile (CID 107327297) is 4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile.
What is the SMILES notation for 4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile?
The canonical SMILES for 4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile is Cc1cc(F)cc(C)c1S(=O)(=O)N1CCOC(C#N)C1.
What is the InChIKey of 4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile?
The InChIKey is AEEAUELGWSEUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-9-5-11(14)6-10(2)13(9)20(17,18)16-3-4-19-12(7-15)8-16/h5-6,12H,3-4,8H2,1-2H3.
What are the key properties of 4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile?
4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile has a molecular weight of 298.34 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile is sourced from PubChem (CID 107327297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).