2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide

C24H24F3NO4S — CID 45479935

IUPAC2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide
SMILESO=S(=O)(c1c(F)cccc1F)N(CCc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1
InChIInChI=1S/C24H24F3NO4S/c25-20-11-9-18(10-12-20)13-14-28(33(30,31)24-22(26)7-4-8-23(24)27)15-21(29)17-32-16-19-5-2-1-3-6-19/h1-12,21,29H,13-17H2/t21-/m1/s1
InChIKeyTUDLUAMUYUNUTB-OAQYLSRUSA-N
MW479.52 g/mol
LogP3.91
Rot. Bonds11

About 2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide

2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide (PubChem CID 45479935) has the molecular formula C24H24F3NO4S and a molecular weight of 479.52 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide
PubChem CID45479935
Molecular FormulaC24H24F3NO4S
Molecular Weight479.52 g/mol
Exact Mass479.14
IUPAC Name2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide
SMILESO=S(=O)(c1c(F)cccc1F)N(CCc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1
InChIInChI=1S/C24H24F3NO4S/c25-20-11-9-18(10-12-20)13-14-28(33(30,31)24-22(26)7-4-8-23(24)27)15-21(29)17-32-16-19-5-2-1-3-6-19/h1-12,21,29H,13-17H2/t21-/m1/s1
InChIKeyTUDLUAMUYUNUTB-OAQYLSRUSA-N
XLogP3.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzhydryloxy-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 4789999
4-((2,5-Difluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895232
4-((2-Fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895234
4-((3,5-Difluorobenzyl)sulfonyl)-2-phenylmorpholine
CID 71796507
(R)-4-(p-ethylphenylsulfonyl)-2-(p-fluorophenyl)morpholine
CID 93690492
2-(4-Fluorophenyl)-4-tosylmorpholine
CID 42949939
1-Phenylmethoxy-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol
CID 4788227
1-[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 4797497
4-((4-Fluoro-2-methylphenyl)sulfonyl)-2-phenylmorpholine
CID 16895271
1-(Benzenesulfonyl)-3-[(3,5-difluorophenyl)methoxy]piperidine
CID 42682762
3-[2-(4-Fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide
CID 42949959
3-[(3,5-Difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine
CID 46029127

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide (CID 45479935) is 2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide is O=S(=O)(c1c(F)cccc1F)N(CCc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1.
What is the InChIKey of 2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide?
The InChIKey is TUDLUAMUYUNUTB-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24F3NO4S/c25-20-11-9-18(10-12-20)13-14-28(33(30,31)24-22(26)7-4-8-23(24)27)15-21(29)17-32-16-19-5-2-1-3-6-19/h1-12,21,29H,13-17H2/t21-/m1/s1.
What are the key properties of 2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide?
2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide has a molecular weight of 479.52 g/mol, XLogP of 3.91, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(4-fluorophenyl)ethyl]-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]benzenesulfonamide is sourced from PubChem (CID 45479935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).