4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide

C18H15F4NO2S — CID 10596233

IUPAC4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1
InChIInChI=1S/C18H15F4NO2S/c19-17-10-12(6-9-16(17)18(20,21)22)15-3-1-2-14(15)11-4-7-13(8-5-11)26(23,24)25/h4-10H,1-3H2,(H2,23,24,25)
InChIKeyLVXZYVWYUMVRQY-UHFFFAOYSA-N
MW385.38 g/mol
LogP4.59
Rot. Bonds3

About 4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide

4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide (PubChem CID 10596233) has the molecular formula C18H15F4NO2S and a molecular weight of 385.38 g/mol. Its IUPAC name is 4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
PubChem CID10596233
Molecular FormulaC18H15F4NO2S
Molecular Weight385.38 g/mol
Exact Mass385.08
IUPAC Name4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1
InChIInChI=1S/C18H15F4NO2S/c19-17-10-12(6-9-16(17)18(20,21)22)15-3-1-2-14(15)11-4-7-13(8-5-11)26(23,24)25/h4-10H,1-3H2,(H2,23,24,25)
InChIKeyLVXZYVWYUMVRQY-UHFFFAOYSA-N
XLogP4.59
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.59
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-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide (CID 10596233) is 4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1.
What is the InChIKey of 4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is LVXZYVWYUMVRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO2S/c19-17-10-12(6-9-16(17)18(20,21)22)15-3-1-2-14(15)11-4-7-13(8-5-11)26(23,24)25/h4-10H,1-3H2,(H2,23,24,25).
What are the key properties of 4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 385.38 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 10596233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).