N-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide

C8H13ClF3NO2S — CID 83058942

IUPACN-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CC(Cl)C1
InChIInChI=1S/C8H13ClF3NO2S/c9-6-4-7(5-6)13-16(14,15)3-1-2-8(10,11)12/h6-7,13H,1-5H2
InChIKeyWDZZNSZYKPWJSJ-UHFFFAOYSA-N
MW279.71 g/mol
LogP2.02
Rot. Bonds5

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

N-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058942) has the molecular formula C8H13ClF3NO2S and a molecular weight of 279.71 g/mol. Its IUPAC name is N-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058942
Molecular FormulaC8H13ClF3NO2S
Molecular Weight279.71 g/mol
Exact Mass279.03
IUPAC NameN-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CC(Cl)C1
InChIInChI=1S/C8H13ClF3NO2S/c9-6-4-7(5-6)13-16(14,15)3-1-2-8(10,11)12/h6-7,13H,1-5H2
InChIKeyWDZZNSZYKPWJSJ-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 52.02
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-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83058942) is N-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NC1CC(Cl)C1.
What is the InChIKey of N-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is WDZZNSZYKPWJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3NO2S/c9-6-4-7(5-6)13-16(14,15)3-1-2-8(10,11)12/h6-7,13H,1-5H2.
What are the key properties of N-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 279.71 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorocyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).