N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

C9H15ClF3NO2S — CID 83059119

IUPACN-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC1CC(Cl)C1
InChIInChI=1S/C9H15ClF3NO2S/c10-8-4-7(5-8)6-14-17(15,16)3-1-2-9(11,12)13/h7-8,14H,1-6H2
InChIKeyXSXBSDYIRIXAJC-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.27
Rot. Bonds6

About N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059119) has the molecular formula C9H15ClF3NO2S and a molecular weight of 293.74 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059119
Molecular FormulaC9H15ClF3NO2S
Molecular Weight293.74 g/mol
Exact Mass293.05
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC1CC(Cl)C1
InChIInChI=1S/C9H15ClF3NO2S/c10-8-4-7(5-8)6-14-17(15,16)3-1-2-9(11,12)13/h7-8,14H,1-6H2
InChIKeyXSXBSDYIRIXAJC-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide 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 N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83059119) is N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCC1CC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is XSXBSDYIRIXAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO2S/c10-8-4-7(5-8)6-14-17(15,16)3-1-2-9(11,12)13/h7-8,14H,1-6H2.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 293.74 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).