4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide

C17H14ClF2NO2S — CID 22746795

IUPAC4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(C2=C(c3cccc(Cl)c3)CCC2)cc1F
InChIInChI=1S/C17H14ClF2NO2S/c18-11-4-1-3-10(7-11)12-5-2-6-13(12)14-8-16(20)17(9-15(14)19)24(21,22)23/h1,3-4,7-9H,2,5-6H2,(H2,21,22,23)
InChIKeyKOOKKIMWARWVLQ-UHFFFAOYSA-N
MW369.82 g/mol
LogP4.36
Rot. Bonds3

About 4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide

4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 22746795) has the molecular formula C17H14ClF2NO2S and a molecular weight of 369.82 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
PubChem CID22746795
Molecular FormulaC17H14ClF2NO2S
Molecular Weight369.82 g/mol
Exact Mass369.04
IUPAC Name4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(C2=C(c3cccc(Cl)c3)CCC2)cc1F
InChIInChI=1S/C17H14ClF2NO2S/c18-11-4-1-3-10(7-11)12-5-2-6-13(12)14-8-16(20)17(9-15(14)19)24(21,22)23/h1,3-4,7-9H,2,5-6H2,(H2,21,22,23)
InChIKeyKOOKKIMWARWVLQ-UHFFFAOYSA-N
XLogP4.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 54.36
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-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of 4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide (CID 22746795) is 4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)c(C2=C(c3cccc(Cl)c3)CCC2)cc1F.
What is the InChIKey of 4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is KOOKKIMWARWVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO2S/c18-11-4-1-3-10(7-11)12-5-2-6-13(12)14-8-16(20)17(9-15(14)19)24(21,22)23/h1,3-4,7-9H,2,5-6H2,(H2,21,22,23).
What are the key properties of 4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide?
4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 369.82 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 22746795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).