2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide

C18H19F3N2O3S — CID 8845093

IUPAC2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H19F3N2O3S/c19-14-6-7-16(18(21)17(14)20)27(24,25)22-15(13-4-2-1-3-5-13)12-23-8-10-26-11-9-23/h1-7,15,22H,8-12H2/t15-/m0/s1
InChIKeyJPOQKODOMDPFEW-HNNXBMFYSA-N
MW400.42 g/mol
LogP2.46
Rot. Bonds6

About 2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide

2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide (PubChem CID 8845093) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
PubChem CID8845093
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H19F3N2O3S/c19-14-6-7-16(18(21)17(14)20)27(24,25)22-15(13-4-2-1-3-5-13)12-23-8-10-26-11-9-23/h1-7,15,22H,8-12H2/t15-/m0/s1
InChIKeyJPOQKODOMDPFEW-HNNXBMFYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845190
4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845033
3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844981
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8844992
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide
CID 51872327
N-[4-[[(1S)-2-morpholin-4-yl-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 8844906
(E)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
CID 8845009
2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 8844524
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60896358

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide (CID 8845093) is 2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide is O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
The InChIKey is JPOQKODOMDPFEW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c19-14-6-7-16(18(21)17(14)20)27(24,25)22-15(13-4-2-1-3-5-13)12-23-8-10-26-11-9-23/h1-7,15,22H,8-12H2/t15-/m0/s1.
What are the key properties of 2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]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 2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 8845093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).