2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol

C20H16F2O4S — CID 19804777

IUPAC2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol
SMILESO=S(=O)(c1ccc(Oc2ccccc2)cc1)C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C20H16F2O4S/c21-20(22,19(23)15-7-3-1-4-8-15)27(24,25)18-13-11-17(12-14-18)26-16-9-5-2-6-10-16/h1-14,19,23H
InChIKeyGMRLGSTWPABTJS-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.58
Rot. Bonds6

About 2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol

2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol (PubChem CID 19804777) has the molecular formula C20H16F2O4S and a molecular weight of 390.41 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol
PubChem CID19804777
Molecular FormulaC20H16F2O4S
Molecular Weight390.41 g/mol
Exact Mass390.07
IUPAC Name2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol
SMILESO=S(=O)(c1ccc(Oc2ccccc2)cc1)C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C20H16F2O4S/c21-20(22,19(23)15-7-3-1-4-8-15)27(24,25)18-13-11-17(12-14-18)26-16-9-5-2-6-10-16/h1-14,19,23H
InChIKeyGMRLGSTWPABTJS-UHFFFAOYSA-N
XLogP4.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol?
The IUPAC name of 2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol (CID 19804777) is 2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol.
What is the SMILES notation for 2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol?
The canonical SMILES for 2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol is O=S(=O)(c1ccc(Oc2ccccc2)cc1)C(F)(F)C(O)c1ccccc1.
What is the InChIKey of 2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol?
The InChIKey is GMRLGSTWPABTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O4S/c21-20(22,19(23)15-7-3-1-4-8-15)27(24,25)18-13-11-17(12-14-18)26-16-9-5-2-6-10-16/h1-14,19,23H.
What are the key properties of 2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol?
2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol has a molecular weight of 390.41 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol is sourced from PubChem (CID 19804777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).