4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide

C19H19F2NO2S — CID 22747318

IUPAC4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide
SMILESCc1ccc(C2=C(c3cc(F)c(S(N)(=O)=O)c(F)c3)CCC2)cc1C
InChIInChI=1S/C19H19F2NO2S/c1-11-6-7-13(8-12(11)2)15-4-3-5-16(15)14-9-17(20)19(18(21)10-14)25(22,23)24/h6-10H,3-5H2,1-2H3,(H2,22,23,24)
InChIKeyFISGKKVTOGBZET-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.32
Rot. Bonds3

About 4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide

4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide (PubChem CID 22747318) has the molecular formula C19H19F2NO2S and a molecular weight of 363.43 g/mol. Its IUPAC name is 4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide
PubChem CID22747318
Molecular FormulaC19H19F2NO2S
Molecular Weight363.43 g/mol
Exact Mass363.11
IUPAC Name4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide
SMILESCc1ccc(C2=C(c3cc(F)c(S(N)(=O)=O)c(F)c3)CCC2)cc1C
InChIInChI=1S/C19H19F2NO2S/c1-11-6-7-13(8-12(11)2)15-4-3-5-16(15)14-9-17(20)19(18(21)10-14)25(22,23)24/h6-10H,3-5H2,1-2H3,(H2,22,23,24)
InChIKeyFISGKKVTOGBZET-UHFFFAOYSA-N
XLogP4.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of 4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide (CID 22747318) is 4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for 4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide is Cc1ccc(C2=C(c3cc(F)c(S(N)(=O)=O)c(F)c3)CCC2)cc1C.
What is the InChIKey of 4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide?
The InChIKey is FISGKKVTOGBZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2S/c1-11-6-7-13(8-12(11)2)15-4-3-5-16(15)14-9-17(20)19(18(21)10-14)25(22,23)24/h6-10H,3-5H2,1-2H3,(H2,22,23,24).
What are the key properties of 4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide?
4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide has a molecular weight of 363.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 22747318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).