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

C18H17NO4S2 — CID 70930906

IUPAC2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfinylpyridine
SMILESCC(C)c1ccc(S(=O)(=O)c2ccoc2S(=O)c2ccccn2)cc1
InChIInChI=1S/C18H17NO4S2/c1-13(2)14-6-8-15(9-7-14)25(21,22)16-10-12-23-18(16)24(20)17-5-3-4-11-19-17/h3-13H,1-2H3
InChIKeyNGZYRODNSJKLRN-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.80
Rot. Bonds5

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

2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfinylpyridine (PubChem CID 70930906) has the molecular formula C18H17NO4S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfinylpyridine.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfinylpyridine
PubChem CID70930906
Molecular FormulaC18H17NO4S2
Molecular Weight375.47 g/mol
Exact Mass375.06
IUPAC Name2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfinylpyridine
SMILESCC(C)c1ccc(S(=O)(=O)c2ccoc2S(=O)c2ccccn2)cc1
InChIInChI=1S/C18H17NO4S2/c1-13(2)14-6-8-15(9-7-14)25(21,22)16-10-12-23-18(16)24(20)17-5-3-4-11-19-17/h3-13H,1-2H3
InChIKeyNGZYRODNSJKLRN-UHFFFAOYSA-N
XLogP3.80
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.80
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]sulfinylpyridine?
The IUPAC name of 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfinylpyridine (CID 70930906) is 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfinylpyridine.
What is the SMILES notation for 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfinylpyridine?
The canonical SMILES for 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfinylpyridine is CC(C)c1ccc(S(=O)(=O)c2ccoc2S(=O)c2ccccn2)cc1.
What is the InChIKey of 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfinylpyridine?
The InChIKey is NGZYRODNSJKLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S2/c1-13(2)14-6-8-15(9-7-14)25(21,22)16-10-12-23-18(16)24(20)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]sulfinylpyridine?
2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfinylpyridine has a molecular weight of 375.47 g/mol, XLogP of 3.80, 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]sulfinylpyridine is sourced from PubChem (CID 70930906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).