N-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide

C9H15ClF3NO2S — CID 106444311

IUPACN-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CCCC1Cl
InChIInChI=1S/C9H15ClF3NO2S/c10-7-3-1-4-8(7)14-17(15,16)6-2-5-9(11,12)13/h7-8,14H,1-6H2
InChIKeyZLLFWCKUDYAUAX-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.41
Rot. Bonds5

About N-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106444311) has the molecular formula C9H15ClF3NO2S and a molecular weight of 293.74 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106444311
Molecular FormulaC9H15ClF3NO2S
Molecular Weight293.74 g/mol
Exact Mass293.05
IUPAC NameN-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CCCC1Cl
InChIInChI=1S/C9H15ClF3NO2S/c10-7-3-1-4-8(7)14-17(15,16)6-2-5-9(11,12)13/h7-8,14H,1-6H2
InChIKeyZLLFWCKUDYAUAX-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 106444311) is N-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NC1CCCC1Cl.
What is the InChIKey of N-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is ZLLFWCKUDYAUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO2S/c10-7-3-1-4-8(7)14-17(15,16)6-2-5-9(11,12)13/h7-8,14H,1-6H2.
What are the key properties of N-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 293.74 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106444311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).