2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

C18H19F3N2O3S — CID 92787138

IUPAC2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C18H19F3N2O3S/c19-14-3-1-13(2-4-14)17(23-7-9-26-10-8-23)12-22-27(24,25)18-6-5-15(20)11-16(18)21/h1-6,11,17,22H,7-10,12H2/t17-/m0/s1
InChIKeyUEEUODMOPSTXMT-KRWDZBQOSA-N
MW400.42 g/mol
LogP2.46
Rot. Bonds6

About 2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 92787138) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID92787138
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C18H19F3N2O3S/c19-14-3-1-13(2-4-14)17(23-7-9-26-10-8-23)12-22-27(24,25)18-6-5-15(20)11-16(18)21/h1-6,11,17,22H,7-10,12H2/t17-/m0/s1
InChIKeyUEEUODMOPSTXMT-KRWDZBQOSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 94008610
4-fluoro-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903236
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
3,4-difluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42891982
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
CID 55558714
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
CID 112503825
5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30835930
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 55434679
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 32942505
3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 47023210
2,5-difluoro-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 16907692
2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835869

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 92787138) is 2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is UEEUODMOPSTXMT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c19-14-3-1-13(2-4-14)17(23-7-9-26-10-8-23)12-22-27(24,25)18-6-5-15(20)11-16(18)21/h1-6,11,17,22H,7-10,12H2/t17-/m0/s1.
What are the key properties of 2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 400.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 92787138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).