2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol

C20H16F2O4S — CID 19804790

IUPAC2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H16F2O4S/c21-20(22,27(24,25)16-11-5-2-6-12-16)19(23)17-13-7-8-14-18(17)26-15-9-3-1-4-10-15/h1-14,19,23H
InChIKeyRRVANIIVOJQYDL-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.58
Rot. Bonds6

About 2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol

2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol (PubChem CID 19804790) has the molecular formula C20H16F2O4S and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol
PubChem CID19804790
Molecular FormulaC20H16F2O4S
Molecular Weight390.41 g/mol
Exact Mass390.07
IUPAC Name2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H16F2O4S/c21-20(22,27(24,25)16-11-5-2-6-12-16)19(23)17-13-7-8-14-18(17)26-15-9-3-1-4-10-15/h1-14,19,23H
InChIKeyRRVANIIVOJQYDL-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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Related Compounds

2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol
CID 19804777
2-(benzenesulfonyl)-1-(2-chlorophenyl)-2,2-difluoroethanol
CID 19804798
1-phenoxy-2-[1-(2-phenoxyphenyl)ethyl]benzene
CID 139761762
2-(benzenesulfonyl)-2-chloro-2-fluoro-1-phenylethanol
CID 10639033
ethane;trifluoromethylsulfonylbenzene
CID 144556552
1-(benzenesulfonyl)-1,1-difluoro-3,3,5,5-tetramethylhexan-2-ol
CID 19804768
2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol
CID 19804783
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-diphenoxybenzene
CID 139796245
(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630
(3R)-1-(benzenesulfonyl)-1,1-difluoro-3-methylheptan-2-ol
CID 122598739
triiodomethylsulfonylbenzene
CID 22887646
azane;2-phenoxybenzenesulfonic acid
CID 173031156

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol?
The IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol (CID 19804790) is 2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol?
The canonical SMILES for 2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol is O=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol?
The InChIKey is RRVANIIVOJQYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O4S/c21-20(22,27(24,25)16-11-5-2-6-12-16)19(23)17-13-7-8-14-18(17)26-15-9-3-1-4-10-15/h1-14,19,23H.
What are the key properties of 2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol?
2-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol 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-(benzenesulfonyl)-2,2-difluoro-1-(2-phenoxyphenyl)ethanol is sourced from PubChem (CID 19804790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).