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

C18H16ClF2NO3S — CID 22746101

IUPAC4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
SMILESCOc1cc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)CCC2)ccc1Cl
InChIInChI=1S/C18H16ClF2NO3S/c1-25-17-7-10(5-6-14(17)19)11-3-2-4-12(11)13-8-16(21)18(9-15(13)20)26(22,23)24/h5-9H,2-4H2,1H3,(H2,22,23,24)
InChIKeyKZVJMPIZFSZTHM-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.37
Rot. Bonds4

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

4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 22746101) has the molecular formula C18H16ClF2NO3S and a molecular weight of 399.85 g/mol. Its IUPAC name is 4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
PubChem CID22746101
Molecular FormulaC18H16ClF2NO3S
Molecular Weight399.85 g/mol
Exact Mass399.05
IUPAC Name4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
SMILESCOc1cc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)CCC2)ccc1Cl
InChIInChI=1S/C18H16ClF2NO3S/c1-25-17-7-10(5-6-14(17)19)11-3-2-4-12(11)13-8-16(21)18(9-15(13)20)26(22,23)24/h5-9H,2-4H2,1H3,(H2,22,23,24)
InChIKeyKZVJMPIZFSZTHM-UHFFFAOYSA-N
XLogP4.37
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of 4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide (CID 22746101) is 4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide is COc1cc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)CCC2)ccc1Cl.
What is the InChIKey of 4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is KZVJMPIZFSZTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO3S/c1-25-17-7-10(5-6-14(17)19)11-3-2-4-12(11)13-8-16(21)18(9-15(13)20)26(22,23)24/h5-9H,2-4H2,1H3,(H2,22,23,24).
What are the key properties of 4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide?
4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 399.85 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 22746101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).