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

C18H16F3NO2S — CID 10522977

IUPAC4-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CCC2)cc1
InChIInChI=1S/C18H16F3NO2S/c19-18(20,21)14-8-4-12(5-9-14)16-2-1-3-17(16)13-6-10-15(11-7-13)25(22,23)24/h4-11H,1-3H2,(H2,22,23,24)
InChIKeyGHWDYDZKPBQMDU-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.45
Rot. Bonds3

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

4-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide (PubChem CID 10522977) has the molecular formula C18H16F3NO2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
PubChem CID10522977
Molecular FormulaC18H16F3NO2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name4-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CCC2)cc1
InChIInChI=1S/C18H16F3NO2S/c19-18(20,21)14-8-4-12(5-9-14)16-2-1-3-17(16)13-6-10-15(11-7-13)25(22,23)24/h4-11H,1-3H2,(H2,22,23,24)
InChIKeyGHWDYDZKPBQMDU-UHFFFAOYSA-N
XLogP4.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Phenylbenzene-1-sulfonamide
CID 5017140
2'-(Propan-2-Yl)biphenyl-4-Sulfonamide
CID 112499924
4-(2-Methylphenyl)-Benzenesulfonamide
CID 68833705
4-(Trifluoromethyl)benzenesulfonamide
CID 70018
2-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 11010480
4-Pentylbenzenesulfonamide
CID 2053748
3'-Fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide
CID 44590437
4-[6-[4-(Trifluoromethyl)phenyl]spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 10500778
4-[2-(4-Fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 9836619
1-[2-(4-Methylsulfonylphenyl)-1-cyclopentenyl]-4-trifluoromethylbenzene
CID 9947309
4-[2-(3-Fluoro-4-(trifluoromethyl)phenyl)-1-cyclopentenyl]benzenesulfonamide
CID 10596233
4-[4,5-Difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 10666170

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide (CID 10522977) is 4-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CCC2)cc1.
What is the InChIKey of 4-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is GHWDYDZKPBQMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2S/c19-18(20,21)14-8-4-12(5-9-14)16-2-1-3-17(16)13-6-10-15(11-7-13)25(22,23)24/h4-11H,1-3H2,(H2,22,23,24).
What are the key properties of 4-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
4-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 367.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 10522977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).