2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline

C12H17FN2O3S — CID 43592448

IUPAC2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline
SMILESCC1(C)CN(S(=O)(=O)c2ccc(F)cc2N)CCO1
InChIInChI=1S/C12H17FN2O3S/c1-12(2)8-15(5-6-18-12)19(16,17)11-4-3-9(13)7-10(11)14/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyJJZPZZBSYUWKAR-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.21
Rot. Bonds2

About 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline

2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline (PubChem CID 43592448) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline
PubChem CID43592448
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline
SMILESCC1(C)CN(S(=O)(=O)c2ccc(F)cc2N)CCO1
InChIInChI=1S/C12H17FN2O3S/c1-12(2)8-15(5-6-18-12)19(16,17)11-4-3-9(13)7-10(11)14/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyJJZPZZBSYUWKAR-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 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-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-(Morpholinosulfonyl)aniline
CID 210794
3-(Morpholine-4-sulfonyl)aniline
CID 559410
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 2105725
Benzenesulfonamide, 4-amino-N-[2-(4-morpholinyl)ethyl]-
CID 120569
(2-Fluoro-4-sulfamoylanilino) morpholine-4-carbodithioate
CID 44268933
(2-Sulfamoylanilino) morpholine-4-carbodithioate
CID 44269014
2-(Morpholine-4-sulfonyl)aniline
CID 1132819
4-Fluoro-3-(4-morpholinylsulfonyl)benzenamine
CID 3868145
4-[(2,6-Dimethylmorpholin-4-yl)sulfonyl]aniline
CID 4388857
4-amino-N-[3-(morpholin-4-yl)propyl]benzene-1-sulfonamide
CID 4962821
4-({4-[(Methylsulfonyl)amino]phenyl}sulfonyl)morpholine
CID 674491
4-fluoro-N-(4-morpholinophenyl)benzenesulfonamide
CID 784121

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline (CID 43592448) is 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline is CC1(C)CN(S(=O)(=O)c2ccc(F)cc2N)CCO1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline?
The InChIKey is JJZPZZBSYUWKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-12(2)8-15(5-6-18-12)19(16,17)11-4-3-9(13)7-10(11)14/h3-4,7H,5-6,8,14H2,1-2H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline?
2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-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 2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-fluoroaniline is sourced from PubChem (CID 43592448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).