2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol

C15H14F2O4S — CID 14291990

IUPAC2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)C(F)(F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14F2O4S/c1-21-12-9-7-11(8-10-12)14(18)15(16,17)22(19,20)13-5-3-2-4-6-13/h2-10,14,18H,1H3
InChIKeyGANHNFMKLBJSNS-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.80
Rot. Bonds5

About 2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol

2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol (PubChem CID 14291990) has the molecular formula C15H14F2O4S and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol
PubChem CID14291990
Molecular FormulaC15H14F2O4S
Molecular Weight328.34 g/mol
Exact Mass328.06
IUPAC Name2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)C(F)(F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14F2O4S/c1-21-12-9-7-11(8-10-12)14(18)15(16,17)22(19,20)13-5-3-2-4-6-13/h2-10,14,18H,1H3
InChIKeyGANHNFMKLBJSNS-UHFFFAOYSA-N
XLogP2.80
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol (CID 14291990) is 2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)C(F)(F)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol?
The InChIKey is GANHNFMKLBJSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O4S/c1-21-12-9-7-11(8-10-12)14(18)15(16,17)22(19,20)13-5-3-2-4-6-13/h2-10,14,18H,1H3.
What are the key properties of 2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol?
2-(benzenesulfonyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol has a molecular weight of 328.34 g/mol, XLogP of 2.80, 5 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-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 14291990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).