N-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide

C7H12F3NO2S — CID 166943265

IUPACN-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NC1CCC1
InChIInChI=1S/C7H12F3NO2S/c8-7(9,10)4-5-14(12,13)11-6-2-1-3-6/h6,11H,1-5H2
InChIKeyXHPLMYBMNYPOMG-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.41
Rot. Bonds4

About N-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide

N-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 166943265) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is N-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide
PubChem CID166943265
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC NameN-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NC1CCC1
InChIInChI=1S/C7H12F3NO2S/c8-7(9,10)4-5-14(12,13)11-6-2-1-3-6/h6,11H,1-5H2
InChIKeyXHPLMYBMNYPOMG-UHFFFAOYSA-N
XLogP1.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide?
The IUPAC name of N-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide (CID 166943265) is N-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide.
What is the SMILES notation for N-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide?
The canonical SMILES for N-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide is O=S(=O)(CCC(F)(F)F)NC1CCC1.
What is the InChIKey of N-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide?
The InChIKey is XHPLMYBMNYPOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c8-7(9,10)4-5-14(12,13)11-6-2-1-3-6/h6,11H,1-5H2.
What are the key properties of N-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide?
N-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 231.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 166943265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).