(1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol

C14H13FO3S — CID 100972719

IUPAC(1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
SMILESO=S(=O)(C[C@H](O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H13FO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9,14,16H,10H2/t14-/m0/s1
InChIKeyCNKCABZLVRAGDF-AWEZNQCLSA-N
MW280.32 g/mol
LogP2.33
Rot. Bonds4

About (1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol

(1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol (PubChem CID 100972719) has the molecular formula C14H13FO3S and a molecular weight of 280.32 g/mol. Its IUPAC name is (1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
PubChem CID100972719
Molecular FormulaC14H13FO3S
Molecular Weight280.32 g/mol
Exact Mass280.06
IUPAC Name(1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
SMILESO=S(=O)(C[C@H](O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H13FO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9,14,16H,10H2/t14-/m0/s1
InChIKeyCNKCABZLVRAGDF-AWEZNQCLSA-N
XLogP2.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol (CID 100972719) is (1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol is O=S(=O)(C[C@H](O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol?
The InChIKey is CNKCABZLVRAGDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13FO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9,14,16H,10H2/t14-/m0/s1.
What are the key properties of (1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol?
(1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol has a molecular weight of 280.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 100972719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).