4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide

C17H15F2NO2S — CID 10616776

IUPAC4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(F)c3)CCC2)cc1
InChIInChI=1S/C17H15F2NO2S/c18-16-9-6-12(10-17(16)19)15-3-1-2-14(15)11-4-7-13(8-5-11)23(20,21)22/h4-10H,1-3H2,(H2,20,21,22)
InChIKeyPZDSRZQDLSVQIG-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.71
Rot. Bonds3

About 4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide

4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 10616776) has the molecular formula C17H15F2NO2S and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID10616776
Molecular FormulaC17H15F2NO2S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(F)c3)CCC2)cc1
InChIInChI=1S/C17H15F2NO2S/c18-16-9-6-12(10-17(16)19)15-3-1-2-14(15)11-4-7-13(8-5-11)23(20,21)22/h4-10H,1-3H2,(H2,20,21,22)
InChIKeyPZDSRZQDLSVQIG-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 4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide (CID 10616776) is 4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(F)c3)CCC2)cc1.
What is the InChIKey of 4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is PZDSRZQDLSVQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2S/c18-16-9-6-12(10-17(16)19)15-3-1-2-14(15)11-4-7-13(8-5-11)23(20,21)22/h4-10H,1-3H2,(H2,20,21,22).
What are the key properties of 4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
4-[2-(3,4-difluorophenyl)cyclopenten-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 4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 10616776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).