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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Related Compounds

methyl 6-[5-propan-2-yloxy-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine-3-carboxylate
CID 10324277
2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine
CID 21438617
1-(benzenesulfonyl)-2,4-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174560883
4-[4-(4-propan-2-ylphenyl)sulfanyl-3-pyridin-2-ylsulfonylphenyl]morpholine
CID 142945865
2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine
CID 70998589
2-(2-fluorophenyl)sulfonyl-1-(4-propan-2-ylphenyl)sulfonyl-4-(trifluoromethoxy)benzene
CID 10345941
N-[[4-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonylphenyl]methyl]hexan-3-amine;ethene;molecular hydrogen
CID 142805296
2-[4-(trifluoromethyl)phenyl]sulfonylpyridine
CID 134863771
1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene
CID 57430781
2-methylpropane;pyridine-2-sulfonic acid
CID 174713168
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 10482191

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).