4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide

C17H15ClF2N2O2S — CID 22917255

IUPAC4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3cnc(Cl)c(C(F)F)c3)CCC2)cc1
InChIInChI=1S/C17H15ClF2N2O2S/c18-16-15(17(19)20)8-11(9-22-16)14-3-1-2-13(14)10-4-6-12(7-5-10)25(21,23)24/h4-9,17H,1-3H2,(H2,21,23,24)
InChIKeyGWKTVHYLEUBJOS-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.41
Rot. Bonds4

About 4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide

4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide (PubChem CID 22917255) has the molecular formula C17H15ClF2N2O2S and a molecular weight of 384.84 g/mol. Its IUPAC name is 4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
PubChem CID22917255
Molecular FormulaC17H15ClF2N2O2S
Molecular Weight384.84 g/mol
Exact Mass384.05
IUPAC Name4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3cnc(Cl)c(C(F)F)c3)CCC2)cc1
InChIInChI=1S/C17H15ClF2N2O2S/c18-16-15(17(19)20)8-11(9-22-16)14-3-1-2-13(14)10-4-6-12(7-5-10)25(21,23)24/h4-9,17H,1-3H2,(H2,21,23,24)
InChIKeyGWKTVHYLEUBJOS-UHFFFAOYSA-N
XLogP4.41
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide (CID 22917255) is 4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3cnc(Cl)c(C(F)F)c3)CCC2)cc1.
What is the InChIKey of 4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is GWKTVHYLEUBJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2S/c18-16-15(17(19)20)8-11(9-22-16)14-3-1-2-13(14)10-4-6-12(7-5-10)25(21,23)24/h4-9,17H,1-3H2,(H2,21,23,24).
What are the key properties of 4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide?
4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 384.84 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 22917255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).