2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide

C20H24F2N2O3S — CID 51866734

IUPAC2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F
InChIInChI=1S/C20H24F2N2O3S/c21-17-8-9-20(18(22)14-17)28(25,26)23-10-4-5-11-24-12-13-27-19(15-24)16-6-2-1-3-7-16/h1-3,6-9,14,19,23H,4-5,10-13,15H2/t19-/m0/s1
InChIKeyHREACJLTMVSBDG-IBGZPJMESA-N
MW410.49 g/mol
LogP3.10
Rot. Bonds8

About 2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide

2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide (PubChem CID 51866734) has the molecular formula C20H24F2N2O3S and a molecular weight of 410.49 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
PubChem CID51866734
Molecular FormulaC20H24F2N2O3S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Name2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F
InChIInChI=1S/C20H24F2N2O3S/c21-17-8-9-20(18(22)14-17)28(25,26)23-10-4-5-11-24-12-13-27-19(15-24)16-6-2-1-3-7-16/h1-3,6-9,14,19,23H,4-5,10-13,15H2/t19-/m0/s1
InChIKeyHREACJLTMVSBDG-IBGZPJMESA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.10
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

2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866623
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
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
2,4,5-trimethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866648
1-(2-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16892924
1-(4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892839
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892838
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide (CID 51866734) is 2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide is O=S(=O)(NCCCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide?
The InChIKey is HREACJLTMVSBDG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24F2N2O3S/c21-17-8-9-20(18(22)14-17)28(25,26)23-10-4-5-11-24-12-13-27-19(15-24)16-6-2-1-3-7-16/h1-3,6-9,14,19,23H,4-5,10-13,15H2/t19-/m0/s1.
What are the key properties of 2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide?
2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide has a molecular weight of 410.49 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide is sourced from PubChem (CID 51866734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).