4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline

C13H18F2N2O3S — CID 43455313

IUPAC4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline
SMILESO=S(=O)(c1ccc(NCCN2CCOCC2)cc1)C(F)F
InChIInChI=1S/C13H18F2N2O3S/c14-13(15)21(18,19)12-3-1-11(2-4-12)16-5-6-17-7-9-20-10-8-17/h1-4,13,16H,5-10H2
InChIKeyBEJMFAXQMIBNMD-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.43
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline

4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 43455313) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline
PubChem CID43455313
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline
SMILESO=S(=O)(c1ccc(NCCN2CCOCC2)cc1)C(F)F
InChIInChI=1S/C13H18F2N2O3S/c14-13(15)21(18,19)12-3-1-11(2-4-12)16-5-6-17-7-9-20-10-8-17/h1-4,13,16H,5-10H2
InChIKeyBEJMFAXQMIBNMD-UHFFFAOYSA-N
XLogP1.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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-(2-morpholin-4-ylethyl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline (CID 43455313) is 4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline is O=S(=O)(c1ccc(NCCN2CCOCC2)cc1)C(F)F.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is BEJMFAXQMIBNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c14-13(15)21(18,19)12-3-1-11(2-4-12)16-5-6-17-7-9-20-10-8-17/h1-4,13,16H,5-10H2.
What are the key properties of 4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline?
4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 320.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 43455313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).