3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol

C18H18ClNO5S — CID 54134407

IUPAC3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol
SMILESCC1(C)OC(O)C(Oc2ccc(Cl)cn2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H18ClNO5S/c1-18(2)15(11-4-7-13(8-5-11)26(3,22)23)16(17(21)25-18)24-14-9-6-12(19)10-20-14/h4-10,17,21H,1-3H3
InChIKeyNWQNLEVSDAEABN-UHFFFAOYSA-N
MW395.86 g/mol
LogP3.06
Rot. Bonds4

About 3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol

3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol (PubChem CID 54134407) has the molecular formula C18H18ClNO5S and a molecular weight of 395.86 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol
PubChem CID54134407
Molecular FormulaC18H18ClNO5S
Molecular Weight395.86 g/mol
Exact Mass395.06
IUPAC Name3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol
SMILESCC1(C)OC(O)C(Oc2ccc(Cl)cn2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H18ClNO5S/c1-18(2)15(11-4-7-13(8-5-11)26(3,22)23)16(17(21)25-18)24-14-9-6-12(19)10-20-14/h4-10,17,21H,1-3H3
InChIKeyNWQNLEVSDAEABN-UHFFFAOYSA-N
XLogP3.06
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol with MolForge

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Related Compounds

5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-prop-1-en-2-yloxyfuran-2-one
CID 15542188
1-[2-(4-chlorophenyl)-4,4-dimethylcyclopenten-1-yl]-4-methylsulfonylbenzene
CID 10155469
5-chloro-2-[6-(4-methylsulfonylphenyl)spiro[3.4]oct-6-en-7-yl]pyridine
CID 18933788
5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol
CID 18788494
3-(3,5-difluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylsulfonylphenyl)-2H-furan-2-ol
CID 67588791
3-furo[2,3-b]pyridin-5-yloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
CID 54096180
[3-(4-chlorophenyl)-1-(hydroxymethyl)-4-(4-methylsulfonylphenyl)cyclopenta-2,4-dien-1-yl]methanol
CID 23370312
3-[(6-butan-2-yl-5-fluoro-3-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
CID 54405650
2-methoxy-5-methylsulfonylpyridine
CID 13433434
1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole
CID 22998023
5,5-dimethyl-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(4-methylsulfonylphenyl)furan-2-one
CID 20649820
5,5-dimethyl-3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)furan-2-one
CID 22002642

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol (CID 54134407) is 3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol is CC1(C)OC(O)C(Oc2ccc(Cl)cn2)=C1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol?
The InChIKey is NWQNLEVSDAEABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5S/c1-18(2)15(11-4-7-13(8-5-11)26(3,22)23)16(17(21)25-18)24-14-9-6-12(19)10-20-14/h4-10,17,21H,1-3H3.
What are the key properties of 3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol?
3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol has a molecular weight of 395.86 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol is sourced from PubChem (CID 54134407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).