6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide

C20H23FN2O2S — CID 22917458

IUPAC6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide
SMILESCCC1(CC)CC(c2ccc(F)cc2)=C(c2ccc(S(N)(=O)=O)cn2)C1
InChIInChI=1S/C20H23FN2O2S/c1-3-20(4-2)11-17(14-5-7-15(21)8-6-14)18(12-20)19-10-9-16(13-23-19)26(22,24)25/h5-10,13H,3-4,11-12H2,1-2H3,(H2,22,24,25)
InChIKeyFCPZFYDCCOIJRB-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.38
Rot. Bonds5

About 6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide

6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide (PubChem CID 22917458) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide
PubChem CID22917458
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide
SMILESCCC1(CC)CC(c2ccc(F)cc2)=C(c2ccc(S(N)(=O)=O)cn2)C1
InChIInChI=1S/C20H23FN2O2S/c1-3-20(4-2)11-17(14-5-7-15(21)8-6-14)18(12-20)19-10-9-16(13-23-19)26(22,24)25/h5-10,13H,3-4,11-12H2,1-2H3,(H2,22,24,25)
InChIKeyFCPZFYDCCOIJRB-UHFFFAOYSA-N
XLogP4.38
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine
CID 22917275
6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide
CID 18933712
4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917492
4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide
CID 18933883
4-[5-(5-fluoro-2-pyridinyl)-3,3-dimethylcyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370430
methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate
CID 23370371
2-[5-(4-chlorophenyl)spiro[2.4]hept-5-en-6-yl]-5-methylsulfonylpyridine
CID 18934071
2-[4,4-difluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-5-(trifluoromethyl)pyridine
CID 22917293
4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917521
2-[3,3-difluoro-5-(4-fluorophenyl)cyclopenta-1,4-dien-1-yl]-5-methylsulfonylpyridine
CID 23370662
6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide
CID 10172083
4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide
CID 23288242

Frequently Asked Questions

What is the IUPAC name of 6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide (CID 22917458) is 6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide is CCC1(CC)CC(c2ccc(F)cc2)=C(c2ccc(S(N)(=O)=O)cn2)C1.
What is the InChIKey of 6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide?
The InChIKey is FCPZFYDCCOIJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-3-20(4-2)11-17(14-5-7-15(21)8-6-14)18(12-20)19-10-9-16(13-23-19)26(22,24)25/h5-10,13H,3-4,11-12H2,1-2H3,(H2,22,24,25).
What are the key properties of 6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide?
6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide has a molecular weight of 374.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 22917458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).