2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine

C21H24FNO2S — CID 22917275

IUPAC2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine
SMILESCCC1(CC)CC(c2ccc(F)cc2)=C(c2ccc(S(C)(=O)=O)cn2)C1
InChIInChI=1S/C21H24FNO2S/c1-4-21(5-2)12-18(15-6-8-16(22)9-7-15)19(13-21)20-11-10-17(14-23-20)26(3,24)25/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeySQGMKOJFJBFGGS-UHFFFAOYSA-N
MW373.49 g/mol
LogP5.14
Rot. Bonds5

About 2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine

2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine (PubChem CID 22917275) has the molecular formula C21H24FNO2S and a molecular weight of 373.49 g/mol. Its IUPAC name is 2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine
PubChem CID22917275
Molecular FormulaC21H24FNO2S
Molecular Weight373.49 g/mol
Exact Mass373.15
IUPAC Name2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine
SMILESCCC1(CC)CC(c2ccc(F)cc2)=C(c2ccc(S(C)(=O)=O)cn2)C1
InChIInChI=1S/C21H24FNO2S/c1-4-21(5-2)12-18(15-6-8-16(22)9-7-15)19(13-21)20-11-10-17(14-23-20)26(3,24)25/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeySQGMKOJFJBFGGS-UHFFFAOYSA-N
XLogP5.14
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.49
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide
CID 22917458
2-[5-(4-chlorophenyl)spiro[2.4]hept-5-en-6-yl]-5-methylsulfonylpyridine
CID 18934071
2-[3,3-difluoro-5-(4-fluorophenyl)cyclopenta-1,4-dien-1-yl]-5-methylsulfonylpyridine
CID 23370662
2-[4,4-difluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-5-(trifluoromethyl)pyridine
CID 22917293
5-chloro-2-[6-(4-methylsulfonylphenyl)spiro[3.4]oct-6-en-7-yl]pyridine
CID 18933788
dimethyl 3-(4-fluorophenyl)-4-(5-methylsulfonyl-2-pyridinyl)cyclopenta-2,4-diene-1,1-dicarboxylate
CID 23370409
6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide
CID 18933712
2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54094069
1-[3,3-difluoro-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-4-fluorobenzene
CID 23370580
4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide
CID 18933883
7-[[6-(4-fluorophenyl)-3-pyridinyl]sulfonylmethyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 46882753
4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917492

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine?
The IUPAC name of 2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine (CID 22917275) is 2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine is CCC1(CC)CC(c2ccc(F)cc2)=C(c2ccc(S(C)(=O)=O)cn2)C1.
What is the InChIKey of 2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine?
The InChIKey is SQGMKOJFJBFGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2S/c1-4-21(5-2)12-18(15-6-8-16(22)9-7-15)19(13-21)20-11-10-17(14-23-20)26(3,24)25/h6-11,14H,4-5,12-13H2,1-3H3.
What are the key properties of 2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine?
2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine has a molecular weight of 373.49 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine is sourced from PubChem (CID 22917275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).