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

C17H20ClNO4S — CID 15887865

IUPAC(3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol
SMILESC[C@@H](Oc1ncc(Cl)cc1-c1ccc(S(C)(=O)=O)cc1)C(C)(C)O
InChIInChI=1S/C17H20ClNO4S/c1-11(17(2,3)20)23-16-15(9-13(18)10-19-16)12-5-7-14(8-6-12)24(4,21)22/h5-11,20H,1-4H3/t11-/m1/s1
InChIKeyGBRZTVAVIAUHPK-LLVKDONJSA-N
MW369.87 g/mol
LogP3.34
Rot. Bonds5

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

(3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol (PubChem CID 15887865) has the molecular formula C17H20ClNO4S and a molecular weight of 369.87 g/mol. Its IUPAC name is (3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name(3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol
PubChem CID15887865
Molecular FormulaC17H20ClNO4S
Molecular Weight369.87 g/mol
Exact Mass369.08
IUPAC Name(3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol
SMILESC[C@@H](Oc1ncc(Cl)cc1-c1ccc(S(C)(=O)=O)cc1)C(C)(C)O
InChIInChI=1S/C17H20ClNO4S/c1-11(17(2,3)20)23-16-15(9-13(18)10-19-16)12-5-7-14(8-6-12)24(4,21)22/h5-11,20H,1-4H3/t11-/m1/s1
InChIKeyGBRZTVAVIAUHPK-LLVKDONJSA-N
XLogP3.34
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol?
The IUPAC name of (3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol (CID 15887865) is (3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol.
What is the SMILES notation for (3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol?
The canonical SMILES for (3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol is C[C@@H](Oc1ncc(Cl)cc1-c1ccc(S(C)(=O)=O)cc1)C(C)(C)O.
What is the InChIKey of (3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol?
The InChIKey is GBRZTVAVIAUHPK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20ClNO4S/c1-11(17(2,3)20)23-16-15(9-13(18)10-19-16)12-5-7-14(8-6-12)24(4,21)22/h5-11,20H,1-4H3/t11-/m1/s1.
What are the key properties of (3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol?
(3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol has a molecular weight of 369.87 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol is sourced from PubChem (CID 15887865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).