4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide

C11H8ClF8NO2S — CID 4153471

IUPAC4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClF8NO2S/c12-6-1-3-7(4-2-6)24(22,23)21-5-9(15,16)11(19,20)10(17,18)8(13)14/h1-4,8,21H,5H2
InChIKeyRDQUAELJFLZZPP-UHFFFAOYSA-N
MW405.69 g/mol
LogP3.79
Rot. Bonds7

About 4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide

4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide (PubChem CID 4153471) has the molecular formula C11H8ClF8NO2S and a molecular weight of 405.69 g/mol. Its IUPAC name is 4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide
PubChem CID4153471
Molecular FormulaC11H8ClF8NO2S
Molecular Weight405.69 g/mol
Exact Mass404.98
IUPAC Name4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClF8NO2S/c12-6-1-3-7(4-2-6)24(22,23)21-5-9(15,16)11(19,20)10(17,18)8(13)14/h1-4,8,21H,5H2
InChIKeyRDQUAELJFLZZPP-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.69
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide 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-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide (CID 4153471) is 4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide is O=S(=O)(NCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide?
The InChIKey is RDQUAELJFLZZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF8NO2S/c12-6-1-3-7(4-2-6)24(22,23)21-5-9(15,16)11(19,20)10(17,18)8(13)14/h1-4,8,21H,5H2.
What are the key properties of 4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide?
4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide has a molecular weight of 405.69 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2,3,3,4,4,5,5-octafluoropentyl)benzenesulfonamide is sourced from PubChem (CID 4153471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).