N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide

C9H15F2NO2S — CID 128774986

IUPACN-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide
SMILESO=S(=O)(CC1CC(F)(F)C1)NC1CCC1
InChIInChI=1S/C9H15F2NO2S/c10-9(11)4-7(5-9)6-15(13,14)12-8-2-1-3-8/h7-8,12H,1-6H2
InChIKeyUWJANNYSJCOTBN-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.50
Rot. Bonds4

About N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide

N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide (PubChem CID 128774986) has the molecular formula C9H15F2NO2S and a molecular weight of 239.29 g/mol. Its IUPAC name is N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide
PubChem CID128774986
Molecular FormulaC9H15F2NO2S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC NameN-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide
SMILESO=S(=O)(CC1CC(F)(F)C1)NC1CCC1
InChIInChI=1S/C9H15F2NO2S/c10-9(11)4-7(5-9)6-15(13,14)12-8-2-1-3-8/h7-8,12H,1-6H2
InChIKeyUWJANNYSJCOTBN-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide?
The IUPAC name of N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide (CID 128774986) is N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide.
What is the SMILES notation for N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide?
The canonical SMILES for N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide is O=S(=O)(CC1CC(F)(F)C1)NC1CCC1.
What is the InChIKey of N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide?
The InChIKey is UWJANNYSJCOTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2S/c10-9(11)4-7(5-9)6-15(13,14)12-8-2-1-3-8/h7-8,12H,1-6H2.
What are the key properties of N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide?
N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide has a molecular weight of 239.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-(3,3-difluorocyclobutyl)methanesulfonamide is sourced from PubChem (CID 128774986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).