2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol

C19H15F2NO3S — CID 21099385

IUPAC2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol
SMILESO=S(=O)(c1ccccc1)c1ccc(CC(O)c2ccc(F)cc2F)nc1
InChIInChI=1S/C19H15F2NO3S/c20-13-6-9-17(18(21)10-13)19(23)11-14-7-8-16(12-22-14)26(24,25)15-4-2-1-3-5-15/h1-10,12,19,23H,11H2
InChIKeyKZBJDOCSMRQNKZ-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.47
Rot. Bonds5

About 2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol

2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol (PubChem CID 21099385) has the molecular formula C19H15F2NO3S and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol
PubChem CID21099385
Molecular FormulaC19H15F2NO3S
Molecular Weight375.40 g/mol
Exact Mass375.07
IUPAC Name2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol
SMILESO=S(=O)(c1ccccc1)c1ccc(CC(O)c2ccc(F)cc2F)nc1
InChIInChI=1S/C19H15F2NO3S/c20-13-6-9-17(18(21)10-13)19(23)11-14-7-8-16(12-22-14)26(24,25)15-4-2-1-3-5-15/h1-10,12,19,23H,11H2
InChIKeyKZBJDOCSMRQNKZ-UHFFFAOYSA-N
XLogP3.47
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol (CID 21099385) is 2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol is O=S(=O)(c1ccccc1)c1ccc(CC(O)c2ccc(F)cc2F)nc1.
What is the InChIKey of 2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is KZBJDOCSMRQNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3S/c20-13-6-9-17(18(21)10-13)19(23)11-14-7-8-16(12-22-14)26(24,25)15-4-2-1-3-5-15/h1-10,12,19,23H,11H2.
What are the key properties of 2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol?
2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol has a molecular weight of 375.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 21099385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).