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

C19H13BrClF2NO3S — CID 23114576

IUPAC[5-bromo-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1)C(c1cc(F)ccc1F)c1cc(CO)ncc1Br
InChIInChI=1S/C19H13BrClF2NO3S/c20-17-9-24-13(10-25)8-15(17)19(16-7-12(22)3-6-18(16)23)28(26,27)14-4-1-11(21)2-5-14/h1-9,19,25H,10H2
InChIKeyUJNIITPTSBKBDJ-UHFFFAOYSA-N
MW488.74 g/mol
LogP4.83
Rot. Bonds5

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

[5-bromo-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanol (PubChem CID 23114576) has the molecular formula C19H13BrClF2NO3S and a molecular weight of 488.74 g/mol. Its IUPAC name is [5-bromo-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanol
PubChem CID23114576
Molecular FormulaC19H13BrClF2NO3S
Molecular Weight488.74 g/mol
Exact Mass486.95
IUPAC Name[5-bromo-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1)C(c1cc(F)ccc1F)c1cc(CO)ncc1Br
InChIInChI=1S/C19H13BrClF2NO3S/c20-17-9-24-13(10-25)8-15(17)19(16-7-12(22)3-6-18(16)23)28(26,27)14-4-1-11(21)2-5-14/h1-9,19,25H,10H2
InChIKeyUJNIITPTSBKBDJ-UHFFFAOYSA-N
XLogP4.83
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.74
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanol?
The IUPAC name of [5-bromo-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanol (CID 23114576) is [5-bromo-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanol?
The canonical SMILES for [5-bromo-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanol is O=S(=O)(c1ccc(Cl)cc1)C(c1cc(F)ccc1F)c1cc(CO)ncc1Br.
What is the InChIKey of [5-bromo-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanol?
The InChIKey is UJNIITPTSBKBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClF2NO3S/c20-17-9-24-13(10-25)8-15(17)19(16-7-12(22)3-6-18(16)23)28(26,27)14-4-1-11(21)2-5-14/h1-9,19,25H,10H2.
What are the key properties of [5-bromo-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanol?
[5-bromo-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanol has a molecular weight of 488.74 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanol is sourced from PubChem (CID 23114576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).