4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline

C13H18F2N2O3S — CID 78952542

IUPAC4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCN1CCOC(CNc2ccc(S(=O)(=O)C(F)F)cc2)C1
InChIInChI=1S/C13H18F2N2O3S/c1-17-6-7-20-11(9-17)8-16-10-2-4-12(5-3-10)21(18,19)13(14)15/h2-5,11,13,16H,6-9H2,1H3
InChIKeyDKERHBLWNRBUNL-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.43
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline

4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline (PubChem CID 78952542) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
PubChem CID78952542
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCN1CCOC(CNc2ccc(S(=O)(=O)C(F)F)cc2)C1
InChIInChI=1S/C13H18F2N2O3S/c1-17-6-7-20-11(9-17)8-16-10-2-4-12(5-3-10)21(18,19)13(14)15/h2-5,11,13,16H,6-9H2,1H3
InChIKeyDKERHBLWNRBUNL-UHFFFAOYSA-N
XLogP1.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline 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

N-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenyl)acetamide
CID 2144799
1-(4-(Methylsulfonyl)phenyl)piperazine
CID 735904
N-[4-(difluoromethylsulfanyl)phenyl]-2,6-dimethylmorpholine-4-carbothioamide
CID 4084703
1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine
CID 2782730
4-[[(1R)-3-(4-Morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]benzenesulfonamide
CID 25058454
2-Propanol, 1-(p-sulfanilylanilino)-
CID 3063463
N-[2-Fluoro-4-(methylsulfonyl)phenyl]piperidin-4-amine hydrochloride
CID 44890804
N-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14809157
N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14809159
4-[2,4-Bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine
CID 42926998
1-[4-(Difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 47032731
4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
CID 47046016

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline (CID 78952542) is 4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline is CN1CCOC(CNc2ccc(S(=O)(=O)C(F)F)cc2)C1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The InChIKey is DKERHBLWNRBUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-17-6-7-20-11(9-17)8-16-10-2-4-12(5-3-10)21(18,19)13(14)15/h2-5,11,13,16H,6-9H2,1H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline has a molecular weight of 320.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 78952542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).