2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide

C19H22F2N2O3S — CID 51866623

IUPAC2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCO[C@H](c2ccccc2)C1)c1cc(F)ccc1F
InChIInChI=1S/C19H22F2N2O3S/c20-16-7-8-17(21)19(13-16)27(24,25)22-9-4-10-23-11-12-26-18(14-23)15-5-2-1-3-6-15/h1-3,5-8,13,18,22H,4,9-12,14H2/t18-/m0/s1
InChIKeyPESAQBOGDIKFTO-SFHVURJKSA-N
MW396.46 g/mol
LogP2.71
Rot. Bonds7

About 2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide

2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide (PubChem CID 51866623) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
PubChem CID51866623
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC Name2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCO[C@H](c2ccccc2)C1)c1cc(F)ccc1F
InChIInChI=1S/C19H22F2N2O3S/c20-16-7-8-17(21)19(13-16)27(24,25)22-9-4-10-23-11-12-26-18(14-23)15-5-2-1-3-6-15/h1-3,5-8,13,18,22H,4,9-12,14H2/t18-/m0/s1
InChIKeyPESAQBOGDIKFTO-SFHVURJKSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866734
2-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892682
2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16892861
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
2,4,5-trimethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866648
5-chloro-2-methyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866754
5-chloro-2-methyl-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866752
1-(4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892839
1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892838
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892762
3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892691

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide (CID 51866623) is 2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide is O=S(=O)(NCCCN1CCO[C@H](c2ccccc2)C1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide?
The InChIKey is PESAQBOGDIKFTO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c20-16-7-8-17(21)19(13-16)27(24,25)22-9-4-10-23-11-12-26-18(14-23)15-5-2-1-3-6-15/h1-3,5-8,13,18,22H,4,9-12,14H2/t18-/m0/s1.
What are the key properties of 2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide?
2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide has a molecular weight of 396.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 51866623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).