3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide

C21H20FNO3S — CID 71781833

IUPAC3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20FNO3S/c1-21(24,15-23-27(25,26)20-9-5-8-19(22)14-20)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14,23-24H,15H2,1H3
InChIKeyXYILZSSMPKTABK-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.68
Rot. Bonds6

About 3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide

3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide (PubChem CID 71781833) has the molecular formula C21H20FNO3S and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
PubChem CID71781833
Molecular FormulaC21H20FNO3S
Molecular Weight385.46 g/mol
Exact Mass385.11
IUPAC Name3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20FNO3S/c1-21(24,15-23-27(25,26)20-9-5-8-19(22)14-20)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14,23-24H,15H2,1H3
InChIKeyXYILZSSMPKTABK-UHFFFAOYSA-N
XLogP3.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

US11078186, Example 84
CID 153313931
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56765486
N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 3246205
N-(2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 242440
2-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 56764138
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56764232
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2,5-dimethylbenzenesulfonamide
CID 56765476
1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide
CID 71781996
(S)-1,1,1-trifluoro-3-(4-fluoro-3-tolylsulfonylamino)-2-phenyl-2-propanol
CID 95367399
(S)-1-cyclopropyl-1-phenyl-2-[p-(trifluoromethyl)phenylsulfonylamino]-1-ethanol
CID 95379531
(R)-2-(4-biphenylyl)-1-(m-fluorophenylsulfonylamino)-2-propanol
CID 96351487
(R)-2-(4-biphenylyl)-1-[(p-fluorophenyl)methylsulfonylamino]-2-propanol
CID 96351493

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide (CID 71781833) is 3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide is CC(O)(CNS(=O)(=O)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide?
The InChIKey is XYILZSSMPKTABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3S/c1-21(24,15-23-27(25,26)20-9-5-8-19(22)14-20)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14,23-24H,15H2,1H3.
What are the key properties of 3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide?
3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide has a molecular weight of 385.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 71781833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).