[6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol

C19H13ClF3NO3S — CID 23114543

IUPAC[6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(Cc2cc(F)ccc2F)c(CO)cc1F
InChIInChI=1S/C19H13ClF3NO3S/c20-13-1-4-15(5-2-13)28(26,27)19-17(23)8-12(10-25)18(24-19)9-11-7-14(21)3-6-16(11)22/h1-8,25H,9-10H2
InChIKeyVMNBDMSPXKVRMJ-UHFFFAOYSA-N
MW427.83 g/mol
LogP4.07
Rot. Bonds5

About [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol

[6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol (PubChem CID 23114543) has the molecular formula C19H13ClF3NO3S and a molecular weight of 427.83 g/mol. Its IUPAC name is [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol
PubChem CID23114543
Molecular FormulaC19H13ClF3NO3S
Molecular Weight427.83 g/mol
Exact Mass427.03
IUPAC Name[6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(Cc2cc(F)ccc2F)c(CO)cc1F
InChIInChI=1S/C19H13ClF3NO3S/c20-13-1-4-15(5-2-13)28(26,27)19-17(23)8-12(10-25)18(24-19)9-11-7-14(21)3-6-16(11)22/h1-8,25H,9-10H2
InChIKeyVMNBDMSPXKVRMJ-UHFFFAOYSA-N
XLogP4.07
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol?
The IUPAC name of [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol (CID 23114543) is [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol.
What is the SMILES notation for [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol?
The canonical SMILES for [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol is O=S(=O)(c1ccc(Cl)cc1)c1nc(Cc2cc(F)ccc2F)c(CO)cc1F.
What is the InChIKey of [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol?
The InChIKey is VMNBDMSPXKVRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO3S/c20-13-1-4-15(5-2-13)28(26,27)19-17(23)8-12(10-25)18(24-19)9-11-7-14(21)3-6-16(11)22/h1-8,25H,9-10H2.
What are the key properties of [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol?
[6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol has a molecular weight of 427.83 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol is sourced from PubChem (CID 23114543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).