4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide

C20H18F5NO2S — CID 22917521

IUPAC4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CC(CF)(CF)C2)cc1
InChIInChI=1S/C20H18F5NO2S/c21-11-19(12-22)9-17(13-1-5-15(6-2-13)20(23,24)25)18(10-19)14-3-7-16(8-4-14)29(26,27)28/h1-8H,9-12H2,(H2,26,27,28)
InChIKeyDLWBILYPYBBIMQ-UHFFFAOYSA-N
MW431.43 g/mol
LogP4.98
Rot. Bonds5

About 4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide

4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide (PubChem CID 22917521) has the molecular formula C20H18F5NO2S and a molecular weight of 431.43 g/mol. Its IUPAC name is 4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
PubChem CID22917521
Molecular FormulaC20H18F5NO2S
Molecular Weight431.43 g/mol
Exact Mass431.10
IUPAC Name4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CC(CF)(CF)C2)cc1
InChIInChI=1S/C20H18F5NO2S/c21-11-19(12-22)9-17(13-1-5-15(6-2-13)20(23,24)25)18(10-19)14-3-7-16(8-4-14)29(26,27)28/h1-8H,9-12H2,(H2,26,27,28)
InChIKeyDLWBILYPYBBIMQ-UHFFFAOYSA-N
XLogP4.98
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 54.98
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-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide (CID 22917521) is 4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CC(CF)(CF)C2)cc1.
What is the InChIKey of 4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is DLWBILYPYBBIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F5NO2S/c21-11-19(12-22)9-17(13-1-5-15(6-2-13)20(23,24)25)18(10-19)14-3-7-16(8-4-14)29(26,27)28/h1-8H,9-12H2,(H2,26,27,28).
What are the key properties of 4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 431.43 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4-bis(fluoromethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 22917521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).