4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide

C17H14F3NO2S — CID 10570051

IUPAC4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3cc(F)c(F)c(F)c3)CCC2)cc1
InChIInChI=1S/C17H14F3NO2S/c18-15-8-11(9-16(19)17(15)20)14-3-1-2-13(14)10-4-6-12(7-5-10)24(21,22)23/h4-9H,1-3H2,(H2,21,22,23)
InChIKeyDVFONKNOKNLESB-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.85
Rot. Bonds3

About 4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide

4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 10570051) has the molecular formula C17H14F3NO2S and a molecular weight of 353.37 g/mol. Its IUPAC name is 4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID10570051
Molecular FormulaC17H14F3NO2S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Name4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3cc(F)c(F)c(F)c3)CCC2)cc1
InChIInChI=1S/C17H14F3NO2S/c18-15-8-11(9-16(19)17(15)20)14-3-1-2-13(14)10-4-6-12(7-5-10)24(21,22)23/h4-9H,1-3H2,(H2,21,22,23)
InChIKeyDVFONKNOKNLESB-UHFFFAOYSA-N
XLogP3.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide (CID 10570051) is 4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3cc(F)c(F)c(F)c3)CCC2)cc1.
What is the InChIKey of 4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is DVFONKNOKNLESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2S/c18-15-8-11(9-16(19)17(15)20)14-3-1-2-13(14)10-4-6-12(7-5-10)24(21,22)23/h4-9H,1-3H2,(H2,21,22,23).
What are the key properties of 4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 353.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4,5-trifluorophenyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 10570051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).