2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide

C17H15F2NO2S — CID 22746653

IUPAC2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(C2=C(c3ccccc3)CCC2)cc1F
InChIInChI=1S/C17H15F2NO2S/c18-15-9-12(10-16(19)17(15)23(20,21)22)14-8-4-7-13(14)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H2,20,21,22)
InChIKeyFWMZIKMELPMXCI-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.71
Rot. Bonds3

About 2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide

2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide (PubChem CID 22746653) has the molecular formula C17H15F2NO2S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide
PubChem CID22746653
Molecular FormulaC17H15F2NO2S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(C2=C(c3ccccc3)CCC2)cc1F
InChIInChI=1S/C17H15F2NO2S/c18-15-9-12(10-16(19)17(15)23(20,21)22)14-8-4-7-13(14)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H2,20,21,22)
InChIKeyFWMZIKMELPMXCI-UHFFFAOYSA-N
XLogP3.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.71
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 2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide (CID 22746653) is 2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide is NS(=O)(=O)c1c(F)cc(C2=C(c3ccccc3)CCC2)cc1F.
What is the InChIKey of 2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide?
The InChIKey is FWMZIKMELPMXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2S/c18-15-9-12(10-16(19)17(15)23(20,21)22)14-8-4-7-13(14)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H2,20,21,22).
What are the key properties of 2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide?
2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide has a molecular weight of 335.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide is sourced from PubChem (CID 22746653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).