2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine

C23H25NO4S2 — CID 10026441

IUPAC2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine
SMILESCC(C)c1ccc(S(=O)(=O)c2ccc(C(C)C)cc2S(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C23H25NO4S2/c1-16(2)18-8-11-20(12-9-18)29(25,26)21-13-10-19(17(3)4)15-22(21)30(27,28)23-7-5-6-14-24-23/h5-17H,1-4H3
InChIKeyZXHFXPPJQOQPFD-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.99
Rot. Bonds6

About 2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine

2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine (PubChem CID 10026441) has the molecular formula C23H25NO4S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine.

Molecular Properties

Compound Name2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine
PubChem CID10026441
Molecular FormulaC23H25NO4S2
Molecular Weight443.59 g/mol
Exact Mass443.12
IUPAC Name2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine
SMILESCC(C)c1ccc(S(=O)(=O)c2ccc(C(C)C)cc2S(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C23H25NO4S2/c1-16(2)18-8-11-20(12-9-18)29(25,26)21-13-10-19(17(3)4)15-22(21)30(27,28)23-7-5-6-14-24-23/h5-17H,1-4H3
InChIKeyZXHFXPPJQOQPFD-UHFFFAOYSA-N
XLogP4.99
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine?
The IUPAC name of 2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine (CID 10026441) is 2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine.
What is the SMILES notation for 2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine?
The canonical SMILES for 2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine is CC(C)c1ccc(S(=O)(=O)c2ccc(C(C)C)cc2S(=O)(=O)c2ccccn2)cc1.
What is the InChIKey of 2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine?
The InChIKey is ZXHFXPPJQOQPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S2/c1-16(2)18-8-11-20(12-9-18)29(25,26)21-13-10-19(17(3)4)15-22(21)30(27,28)23-7-5-6-14-24-23/h5-17H,1-4H3.
What are the key properties of 2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine?
2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine has a molecular weight of 443.59 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine is sourced from PubChem (CID 10026441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).