2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine

C18H17NO3S2 — CID 59127332

IUPAC2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine
SMILESCC(C)c1ccc(S(=O)(=O)c2ccoc2Sc2ccccn2)cc1
InChIInChI=1S/C18H17NO3S2/c1-13(2)14-6-8-15(9-7-14)24(20,21)16-10-12-22-18(16)23-17-5-3-4-11-19-17/h3-13H,1-2H3
InChIKeyXBABMERDKMUJKK-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.78
Rot. Bonds5

About 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine

2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine (PubChem CID 59127332) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine
PubChem CID59127332
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC Name2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine
SMILESCC(C)c1ccc(S(=O)(=O)c2ccoc2Sc2ccccn2)cc1
InChIInChI=1S/C18H17NO3S2/c1-13(2)14-6-8-15(9-7-14)24(20,21)16-10-12-22-18(16)23-17-5-3-4-11-19-17/h3-13H,1-2H3
InChIKeyXBABMERDKMUJKK-UHFFFAOYSA-N
XLogP4.78
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine?
The IUPAC name of 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine (CID 59127332) is 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine.
What is the SMILES notation for 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine?
The canonical SMILES for 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine is CC(C)c1ccc(S(=O)(=O)c2ccoc2Sc2ccccn2)cc1.
What is the InChIKey of 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine?
The InChIKey is XBABMERDKMUJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-13(2)14-6-8-15(9-7-14)24(20,21)16-10-12-22-18(16)23-17-5-3-4-11-19-17/h3-13H,1-2H3.
What are the key properties of 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine?
2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine has a molecular weight of 359.47 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfanylpyridine is sourced from PubChem (CID 59127332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).