phenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone

C21H19NO4S — CID 511924

IUPACphenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone
SMILESCC(C)S(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)nc1
InChIInChI=1S/C21H19NO4S/c1-15(2)27(24,25)19-12-13-20(22-14-19)26-18-10-8-17(9-11-18)21(23)16-6-4-3-5-7-16/h3-15H,1-2H3
InChIKeyLOJGTRMOVUVEOD-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.29
Rot. Bonds6

About phenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone

phenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone (PubChem CID 511924) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is phenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone
PubChem CID511924
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Namephenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone
SMILESCC(C)S(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)nc1
InChIInChI=1S/C21H19NO4S/c1-15(2)27(24,25)19-12-13-20(22-14-19)26-18-10-8-17(9-11-18)21(23)16-6-4-3-5-7-16/h3-15H,1-2H3
InChIKeyLOJGTRMOVUVEOD-UHFFFAOYSA-N
XLogP4.29
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone?
The IUPAC name of phenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone (CID 511924) is phenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone.
What is the SMILES notation for phenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone?
The canonical SMILES for phenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone is CC(C)S(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)nc1.
What is the InChIKey of phenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone?
The InChIKey is LOJGTRMOVUVEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-15(2)27(24,25)19-12-13-20(22-14-19)26-18-10-8-17(9-11-18)21(23)16-6-4-3-5-7-16/h3-15H,1-2H3.
What are the key properties of phenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone?
phenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone has a molecular weight of 381.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[(5-propan-2-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone is sourced from PubChem (CID 511924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).