3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide

C12H17FN2O3S — CID 110663884

IUPAC3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCOCC1c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O3S/c1-14(2)19(16,17)15-7-8-18-9-12(15)10-3-5-11(13)6-4-10/h3-6,12H,7-9H2,1-2H3
InChIKeyIJXYREQKMWRLGI-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.01
Rot. Bonds3

About 3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide

3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide (PubChem CID 110663884) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide
PubChem CID110663884
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCOCC1c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O3S/c1-14(2)19(16,17)15-7-8-18-9-12(15)10-3-5-11(13)6-4-10/h3-6,12H,7-9H2,1-2H3
InChIKeyIJXYREQKMWRLGI-UHFFFAOYSA-N
XLogP1.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfonyl-3-(4-fluorophenyl)morpholine
CID 110663881
4-(3,4-dimethylphenyl)sulfonyl-3-(4-fluorophenyl)morpholine
CID 110871749
1-[4-[3-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
CID 110663917
3-(4-fluorophenyl)morpholin-4-amine
CID 82399655
3-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide
CID 71210064
3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine
CID 110663893
1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663815
(3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide
CID 97487508
4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide
CID 56793697
(2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide
CID 95632290
[3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110663861
N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide
CID 110113783

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide?
The IUPAC name of 3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide (CID 110663884) is 3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for 3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide is CN(C)S(=O)(=O)N1CCOCC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide?
The InChIKey is IJXYREQKMWRLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-14(2)19(16,17)15-7-8-18-9-12(15)10-3-5-11(13)6-4-10/h3-6,12H,7-9H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide?
3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 110663884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).