[4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol

C20H16ClF2NO3S — CID 23114673

IUPAC[4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol
SMILESCc1cnc(CO)cc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClF2NO3S/c1-12-10-24-15(11-25)9-17(12)20(18-8-14(22)4-7-19(18)23)28(26,27)16-5-2-13(21)3-6-16/h2-10,20,25H,11H2,1H3
InChIKeyQXXFOLBDOUFNMI-UHFFFAOYSA-N
MW423.87 g/mol
LogP4.38
Rot. Bonds5

About [4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol

[4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol (PubChem CID 23114673) has the molecular formula C20H16ClF2NO3S and a molecular weight of 423.87 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol
PubChem CID23114673
Molecular FormulaC20H16ClF2NO3S
Molecular Weight423.87 g/mol
Exact Mass423.05
IUPAC Name[4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol
SMILESCc1cnc(CO)cc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClF2NO3S/c1-12-10-24-15(11-25)9-17(12)20(18-8-14(22)4-7-19(18)23)28(26,27)16-5-2-13(21)3-6-16/h2-10,20,25H,11H2,1H3
InChIKeyQXXFOLBDOUFNMI-UHFFFAOYSA-N
XLogP4.38
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.87
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol?
The IUPAC name of [4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol (CID 23114673) is [4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol?
The canonical SMILES for [4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol is Cc1cnc(CO)cc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol?
The InChIKey is QXXFOLBDOUFNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2NO3S/c1-12-10-24-15(11-25)9-17(12)20(18-8-14(22)4-7-19(18)23)28(26,27)16-5-2-13(21)3-6-16/h2-10,20,25H,11H2,1H3.
What are the key properties of [4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol?
[4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol has a molecular weight of 423.87 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 23114673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).