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

C19H14ClF2NO3S — CID 23028588

IUPAC[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1)C(c1ccc(CO)cn1)c1cc(F)ccc1F
InChIInChI=1S/C19H14ClF2NO3S/c20-13-2-5-15(6-3-13)27(25,26)19(16-9-14(21)4-7-17(16)22)18-8-1-12(11-24)10-23-18/h1-10,19,24H,11H2
InChIKeyVIIPAZXQZZGGHA-UHFFFAOYSA-N
MW409.84 g/mol
LogP4.07
Rot. Bonds5

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

[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanol (PubChem CID 23028588) has the molecular formula C19H14ClF2NO3S and a molecular weight of 409.84 g/mol. Its IUPAC name is [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanol
PubChem CID23028588
Molecular FormulaC19H14ClF2NO3S
Molecular Weight409.84 g/mol
Exact Mass409.04
IUPAC Name[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1)C(c1ccc(CO)cn1)c1cc(F)ccc1F
InChIInChI=1S/C19H14ClF2NO3S/c20-13-2-5-15(6-3-13)27(25,26)19(16-9-14(21)4-7-17(16)22)18-8-1-12(11-24)10-23-18/h1-10,19,24H,11H2
InChIKeyVIIPAZXQZZGGHA-UHFFFAOYSA-N
XLogP4.07
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Hydroxymethyletoricoxib
CID 44266438
2-[5-(Benzenesulfonyl)-2-pyridinyl]-1-(2,4-difluorophenyl)ethanol
CID 21099385
2-[(4-Chlorobenzene-1-sulfonyl)(2,5-difluorophenyl)methyl]pyridine
CID 23028676
3-(4-Chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine
CID 23028796
[6-(4-Chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-5-fluoro-3-pyridinyl]methanol
CID 23114543
2-[[(4-Chlorophenyl)sulfonyl](2,5-difluorophenyl)methyl]-5-methylpyridine
CID 23114561
[5-Bromo-4-[(4-chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]pyridin-2-yl]methanol
CID 23114576
tert-butyl N-[[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methoxycarbonyl]carbamate
CID 23114587
[5-Bromo-4-[(4-chlorophenylthio)(2,5-difluorophenyl)methyl]pyridin-2-yl]methanol
CID 23114603
(E)-3-[6-[(4-Chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]pyridin-3-yl]acrylic acid
CID 23114614
2-[(4-Chlorophenylthio)-(2,5-difluorophenyl)methyl]-5-(1,3-dioxolan-2-yl)pyridine
CID 23114625
3-[4-[(4-Chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]-5-fluoropyridin-2-yl]propionic acid
CID 23114647

Frequently Asked Questions

What is the IUPAC name of [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanol?
The IUPAC name of [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanol (CID 23028588) is [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanol?
The canonical SMILES for [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanol is O=S(=O)(c1ccc(Cl)cc1)C(c1ccc(CO)cn1)c1cc(F)ccc1F.
What is the InChIKey of [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanol?
The InChIKey is VIIPAZXQZZGGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO3S/c20-13-2-5-15(6-3-13)27(25,26)19(16-9-14(21)4-7-17(16)22)18-8-1-12(11-24)10-23-18/h1-10,19,24H,11H2.
What are the key properties of [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanol?
[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanol has a molecular weight of 409.84 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-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanol is sourced from PubChem (CID 23028588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).