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

C18H17NO5S2 — CID 10318294

IUPAC2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfonylpyridine
SMILESCC(C)c1ccc(S(=O)(=O)c2ccoc2S(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C18H17NO5S2/c1-13(2)14-6-8-15(9-7-14)25(20,21)16-10-12-24-18(16)26(22,23)17-5-3-4-11-19-17/h3-13H,1-2H3
InChIKeyFDXOGVYNSKIEMW-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.46
Rot. Bonds5

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

2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfonylpyridine (PubChem CID 10318294) has the molecular formula C18H17NO5S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfonylpyridine.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfonylpyridine
PubChem CID10318294
Molecular FormulaC18H17NO5S2
Molecular Weight391.47 g/mol
Exact Mass391.05
IUPAC Name2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfonylpyridine
SMILESCC(C)c1ccc(S(=O)(=O)c2ccoc2S(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C18H17NO5S2/c1-13(2)14-6-8-15(9-7-14)25(20,21)16-10-12-24-18(16)26(22,23)17-5-3-4-11-19-17/h3-13H,1-2H3
InChIKeyFDXOGVYNSKIEMW-UHFFFAOYSA-N
XLogP3.46
TPSA94.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-1-(furan-3-ylsulfonyl)-4-pyridin-4-ylazepane
CID 164634150
2-Fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
CID 22181962
4-(2-Fluoropyridin-3-yl)-5-[(6-methoxypyridin-2-yl)sulfonyl]thiophene-2-carbaldehyde
CID 86631619
2-[4-[(2,4-Difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carbaldehyde
CID 87804230
3-(3-Fluoro-4-methylphenyl)-5-(furan-2-ylsulfonyl)-1-oxidopyridin-1-ium
CID 177283400
2-[4-(Furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine
CID 168526481
3-[[4-[4-(Furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine
CID 24730929
2-(Furan-2-yl)-3-methylthiopyrano[2,3-b]pyridin-4-one
CID 14343366
3-Ethyl-2-(furan-2-yl)thiopyrano[2,3-b]pyridin-4-one
CID 14343368
2-Methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
CID 22181944
3-[4-(4-Methylsulfonylphenyl)furan-3-yl]pyridine
CID 22181982
4-[4-(6-Methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide
CID 22182005

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfonylpyridine?
The IUPAC name of 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfonylpyridine (CID 10318294) is 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfonylpyridine.
What is the SMILES notation for 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfonylpyridine?
The canonical SMILES for 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfonylpyridine is CC(C)c1ccc(S(=O)(=O)c2ccoc2S(=O)(=O)c2ccccn2)cc1.
What is the InChIKey of 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfonylpyridine?
The InChIKey is FDXOGVYNSKIEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S2/c1-13(2)14-6-8-15(9-7-14)25(20,21)16-10-12-24-18(16)26(22,23)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]sulfonylpyridine?
2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfonylpyridine has a molecular weight of 391.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylphenyl)sulfonylfuran-2-yl]sulfonylpyridine is sourced from PubChem (CID 10318294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).