4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline

C12H17FN2O3S — CID 82844225

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
SMILESCC1CN(S(=O)(=O)c2ccc(N)c(F)c2)CC(C)O1
InChIInChI=1S/C12H17FN2O3S/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,6-7,14H2,1-2H3
InChIKeyBGCAZZLSHHAMEG-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.21
Rot. Bonds2

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline (PubChem CID 82844225) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
PubChem CID82844225
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
SMILESCC1CN(S(=O)(=O)c2ccc(N)c(F)c2)CC(C)O1
InChIInChI=1S/C12H17FN2O3S/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,6-7,14H2,1-2H3
InChIKeyBGCAZZLSHHAMEG-UHFFFAOYSA-N
XLogP1.21
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931883
4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-fluoroaniline
CID 82844575
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 82843726
4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine
CID 104958532
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-fluoroaniline
CID 93398177
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluoro-4-methylaniline
CID 104957721
5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluorobenzoic acid
CID 43078608
2-fluoro-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62986535
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
CID 92853527

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline (CID 82844225) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline is CC1CN(S(=O)(=O)c2ccc(N)c(F)c2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline?
The InChIKey is BGCAZZLSHHAMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/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,6-7,14H2,1-2H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline has a molecular weight of 288.34 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline is sourced from PubChem (CID 82844225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).