4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide

C24H24N2O2S — CID 22917330

IUPAC4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESCC1(C)CC(c2ccc(-c3ccccn3)cc2)=C(c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C24H24N2O2S/c1-24(2)15-21(17-6-8-19(9-7-17)23-5-3-4-14-26-23)22(16-24)18-10-12-20(13-11-18)29(25,27)28/h3-14H,15-16H2,1-2H3,(H2,25,27,28)
InChIKeyACWAWHJONZBYLB-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.13
Rot. Bonds4

About 4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide

4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 22917330) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID22917330
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESCC1(C)CC(c2ccc(-c3ccccn3)cc2)=C(c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C24H24N2O2S/c1-24(2)15-21(17-6-8-19(9-7-17)23-5-3-4-14-26-23)22(16-24)18-10-12-20(13-11-18)29(25,27)28/h3-14H,15-16H2,1-2H3,(H2,25,27,28)
InChIKeyACWAWHJONZBYLB-UHFFFAOYSA-N
XLogP5.13
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide
CID 22907514
2-(4-tert-butylsulfonylphenyl)pyridine
CID 102234963
2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
CID 22917520
CID 70432707
CID 70432707
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
3-(4-methylsulfonylphenyl)-2-pyridin-2-ylcyclopent-2-en-1-one
CID 10567176
4-[6-[6-(trifluoromethyl)-3-pyridinyl]spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 18933800
4-[6-(4-methylphenyl)spiro[3.4]oct-6-en-7-yl]benzenesulfonamide
CID 18934094
2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 151939850
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate
CID 172762564
6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide
CID 18933712

Frequently Asked Questions

What is the IUPAC name of 4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide (CID 22917330) is 4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide is CC1(C)CC(c2ccc(-c3ccccn3)cc2)=C(c2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is ACWAWHJONZBYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-24(2)15-21(17-6-8-19(9-7-17)23-5-3-4-14-26-23)22(16-24)18-10-12-20(13-11-18)29(25,27)28/h3-14H,15-16H2,1-2H3,(H2,25,27,28).
What are the key properties of 4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide?
4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 404.54 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 22917330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).