(2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol

C16H18ClNO4S — CID 15887871

IUPAC(2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol
SMILESC[C@@H](O)[C@@H](C)Oc1ncc(Cl)cc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H18ClNO4S/c1-10(19)11(2)22-16-15(8-13(17)9-18-16)12-4-6-14(7-5-12)23(3,20)21/h4-11,19H,1-3H3/t10-,11-/m1/s1
InChIKeyJKPOIXNNBPBXLH-GHMZBOCLSA-N
MW355.84 g/mol
LogP2.95
Rot. Bonds5

About (2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol

(2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol (PubChem CID 15887871) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is (2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol
PubChem CID15887871
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name(2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol
SMILESC[C@@H](O)[C@@H](C)Oc1ncc(Cl)cc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H18ClNO4S/c1-10(19)11(2)22-16-15(8-13(17)9-18-16)12-4-6-14(7-5-12)23(3,20)21/h4-11,19H,1-3H3/t10-,11-/m1/s1
InChIKeyJKPOIXNNBPBXLH-GHMZBOCLSA-N
XLogP2.95
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol with MolForge

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Related Compounds

2H-Pyrano(2,3-b)pyridine, 2-(4-chlorophenyl)-3,4-dihydro-6-(methylsulfonyl)-
CID 514903
3-(5-Chloro-2-pyridyloxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)-5H-furan-2-one
CID 10157427
1-[3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-yloxy]-2-methyl-propan-2-ol
CID 15887860
1-[3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-yloxymethyl]-cyclopentanol
CID 15887862
(S)-3-[3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-yloxy]-2-methyl-butan-2-ol
CID 15887864
(S)-3-Ethyl-2-[3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-yloxy]-pentan-3-ol
CID 15887866
3-(3-Chloro-pyridin-2-yloxy)-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
CID 21948438
3-(3,5-Dichloro-pyridin-2-yloxy)-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
CID 21948521
(1S,2R)-2-[3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-yloxy]-1-methyl-cyclopentanol
CID 44292887
2-(4-Chloro-benzyloxy)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-pyridine
CID 44292819
3-(4-Methanesulfonyl-phenyl)-2-(2,2,2-trifluoro-ethoxy)-5-trifluoromethyl-pyridine
CID 44293185
3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-2-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-pyridine
CID 44293290

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol?
The IUPAC name of (2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol (CID 15887871) is (2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol.
What is the SMILES notation for (2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol?
The canonical SMILES for (2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol is C[C@@H](O)[C@@H](C)Oc1ncc(Cl)cc1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol?
The InChIKey is JKPOIXNNBPBXLH-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-10(19)11(2)22-16-15(8-13(17)9-18-16)12-4-6-14(7-5-12)23(3,20)21/h4-11,19H,1-3H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol?
(2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol has a molecular weight of 355.84 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol is sourced from PubChem (CID 15887871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).