2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol

C15H15FO4S — CID 134876060

IUPAC2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)C(F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15FO4S/c1-20-12-9-7-11(8-10-12)14(17)15(16)21(18,19)13-5-3-2-4-6-13/h2-10,14-15,17H,1H3
InChIKeyAZGNGNNXDIDTSP-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.50
Rot. Bonds5

About 2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol

2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol (PubChem CID 134876060) has the molecular formula C15H15FO4S and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol
PubChem CID134876060
Molecular FormulaC15H15FO4S
Molecular Weight310.35 g/mol
Exact Mass310.07
IUPAC Name2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)C(F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15FO4S/c1-20-12-9-7-11(8-10-12)14(17)15(16)21(18,19)13-5-3-2-4-6-13/h2-10,14-15,17H,1H3
InChIKeyAZGNGNNXDIDTSP-UHFFFAOYSA-N
XLogP2.50
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol (CID 134876060) is 2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)C(F)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol?
The InChIKey is AZGNGNNXDIDTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO4S/c1-20-12-9-7-11(8-10-12)14(17)15(16)21(18,19)13-5-3-2-4-6-13/h2-10,14-15,17H,1H3.
What are the key properties of 2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol?
2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol has a molecular weight of 310.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 134876060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).