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

C18H16ClF2NO2S — CID 22746345

IUPAC4-[2-(4-chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
SMILESCc1cc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)CCC2)ccc1Cl
InChIInChI=1S/C18H16ClF2NO2S/c1-10-7-11(5-6-15(10)19)12-3-2-4-13(12)14-8-17(21)18(9-16(14)20)25(22,23)24/h5-9H,2-4H2,1H3,(H2,22,23,24)
InChIKeyMLPBAZLOSOKKKC-UHFFFAOYSA-N
MW383.85 g/mol
LogP4.67
Rot. Bonds3

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

4-[2-(4-chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 22746345) has the molecular formula C18H16ClF2NO2S and a molecular weight of 383.85 g/mol. Its IUPAC name is 4-[2-(4-chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
PubChem CID22746345
Molecular FormulaC18H16ClF2NO2S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Name4-[2-(4-chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
SMILESCc1cc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)CCC2)ccc1Cl
InChIInChI=1S/C18H16ClF2NO2S/c1-10-7-11(5-6-15(10)19)12-3-2-4-13(12)14-8-17(21)18(9-16(14)20)25(22,23)24/h5-9H,2-4H2,1H3,(H2,22,23,24)
InChIKeyMLPBAZLOSOKKKC-UHFFFAOYSA-N
XLogP4.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 54.67
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-(4-chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of 4-[2-(4-chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide (CID 22746345) is 4-[2-(4-chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-[2-(4-chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide is Cc1cc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)CCC2)ccc1Cl.
What is the InChIKey of 4-[2-(4-chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is MLPBAZLOSOKKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO2S/c1-10-7-11(5-6-15(10)19)12-3-2-4-13(12)14-8-17(21)18(9-16(14)20)25(22,23)24/h5-9H,2-4H2,1H3,(H2,22,23,24).
What are the key properties of 4-[2-(4-chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide?
4-[2-(4-chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 383.85 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 22746345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).