2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide

C20H17F2NO3S — CID 6733435

IUPAC2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)C(O)c1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C20H17F2NO3S/c21-16-12-7-13-17(22)20(16)27(25,26)23-18(14-8-3-1-4-9-14)19(24)15-10-5-2-6-11-15/h1-13,18-19,23-24H
InChIKeyOZNXVFZPALVOMV-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.72
Rot. Bonds6

About 2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide

2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide (PubChem CID 6733435) has the molecular formula C20H17F2NO3S and a molecular weight of 389.42 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide
PubChem CID6733435
Molecular FormulaC20H17F2NO3S
Molecular Weight389.42 g/mol
Exact Mass389.09
IUPAC Name2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)C(O)c1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C20H17F2NO3S/c21-16-12-7-13-17(22)20(16)27(25,26)23-18(14-8-3-1-4-9-14)19(24)15-10-5-2-6-11-15/h1-13,18-19,23-24H
InChIKeyOZNXVFZPALVOMV-UHFFFAOYSA-N
XLogP3.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide
CID 2812775
2-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 56764138
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2,5-dimethylbenzenesulfonamide
CID 56765476
(R)-2-(4-biphenylyl)-1-(m-fluorophenylsulfonylamino)-2-propanol
CID 96351487
(S)-3-(4-fluoro-2-tolylsulfonylamino)-1-phenyl-1-propanol
CID 97038599
(S)-1-phenyl-3-[m-(trifluoromethyl)phenylsulfonylamino]-1-propanol
CID 97038632
(1R,2S)-2-(benzhydrylamino)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
CID 56834515
4-fluoro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-3-methylbenzenesulfonamide
CID 56765479
N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 3673467
N-{[3'-(Hydroxymethyl)biphenyl-4-Yl]methyl}benzenesulfonamide
CID 119025594
N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) phenyl)-N-(2,2,2-trifluoroethyl) benzenesulfonamide
CID 129852914
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxy-3-phenylpropan-2-yl)methanesulfonamide
CID 129884049

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide (CID 6733435) is 2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide is O=S(=O)(NC(c1ccccc1)C(O)c1ccccc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide?
The InChIKey is OZNXVFZPALVOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3S/c21-16-12-7-13-17(22)20(16)27(25,26)23-18(14-8-3-1-4-9-14)19(24)15-10-5-2-6-11-15/h1-13,18-19,23-24H.
What are the key properties of 2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide?
2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide has a molecular weight of 389.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-hydroxy-1,2-diphenylethyl)benzenesulfonamide is sourced from PubChem (CID 6733435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).