2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine

C17H16BrF2NO3S — CID 56557020

IUPAC2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine
SMILESO=S(=O)(c1ccccc1N1CCOC(c2ccc(Br)cc2)C1)C(F)F
InChIInChI=1S/C17H16BrF2NO3S/c18-13-7-5-12(6-8-13)15-11-21(9-10-24-15)14-3-1-2-4-16(14)25(22,23)17(19)20/h1-8,15,17H,9-11H2
InChIKeyYSPMWIHFMJEHLU-UHFFFAOYSA-N
MW432.29 g/mol
LogP4.02
Rot. Bonds4

About 2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine

2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine (PubChem CID 56557020) has the molecular formula C17H16BrF2NO3S and a molecular weight of 432.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine
PubChem CID56557020
Molecular FormulaC17H16BrF2NO3S
Molecular Weight432.29 g/mol
Exact Mass431.00
IUPAC Name2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine
SMILESO=S(=O)(c1ccccc1N1CCOC(c2ccc(Br)cc2)C1)C(F)F
InChIInChI=1S/C17H16BrF2NO3S/c18-13-7-5-12(6-8-13)15-11-21(9-10-24-15)14-3-1-2-4-16(14)25(22,23)17(19)20/h1-8,15,17H,9-11H2
InChIKeyYSPMWIHFMJEHLU-UHFFFAOYSA-N
XLogP4.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine 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-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449960
2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine
CID 47983309
2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine
CID 47983349
(3S)-1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 113239909
1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol
CID 114680750
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-4-cyanobenzenesulfonamide
CID 100675315
4-benzylsulfonyl-2-(4-bromophenyl)morpholine
CID 47958795
2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
CID 133354177
1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
CID 103577764
1-(2-bromoethyl)-4-[2-(difluoromethylsulfonyl)phenyl]piperazine
CID 80676654
2-(4-bromophenyl)-4-propan-2-ylmorpholine
CID 82184636
4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1-[2-(difluoromethylsulfonyl)phenyl]piperidine
CID 133448736

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine?
The IUPAC name of 2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine (CID 56557020) is 2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine.
What is the SMILES notation for 2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine?
The canonical SMILES for 2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine is O=S(=O)(c1ccccc1N1CCOC(c2ccc(Br)cc2)C1)C(F)F.
What is the InChIKey of 2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine?
The InChIKey is YSPMWIHFMJEHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2NO3S/c18-13-7-5-12(6-8-13)15-11-21(9-10-24-15)14-3-1-2-4-16(14)25(22,23)17(19)20/h1-8,15,17H,9-11H2.
What are the key properties of 2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine?
2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine has a molecular weight of 432.29 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine is sourced from PubChem (CID 56557020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).