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

C9H15F2NO2S — CID 142795381

IUPACN-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide
SMILESCS(=O)(=O)N(C1CCC1)C1CC(F)(F)C1
InChIInChI=1S/C9H15F2NO2S/c1-15(13,14)12(7-3-2-4-7)8-5-9(10,11)6-8/h7-8H,2-6H2,1H3
InChIKeyXZRIKIJKURZLBR-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.60
Rot. Bonds3

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

N-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide (PubChem CID 142795381) has the molecular formula C9H15F2NO2S and a molecular weight of 239.29 g/mol. Its IUPAC name is N-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide
PubChem CID142795381
Molecular FormulaC9H15F2NO2S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC NameN-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide
SMILESCS(=O)(=O)N(C1CCC1)C1CC(F)(F)C1
InChIInChI=1S/C9H15F2NO2S/c1-15(13,14)12(7-3-2-4-7)8-5-9(10,11)6-8/h7-8H,2-6H2,1H3
InChIKeyXZRIKIJKURZLBR-UHFFFAOYSA-N
XLogP1.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide
CID 167493676
N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide
CID 168726759
N-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide
CID 165034086
N,N-di(cyclobutyl)methanesulfonamide
CID 131065631

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide?
The IUPAC name of N-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide (CID 142795381) is N-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide.
What is the SMILES notation for N-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide?
The canonical SMILES for N-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide is CS(=O)(=O)N(C1CCC1)C1CC(F)(F)C1.
What is the InChIKey of N-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide?
The InChIKey is XZRIKIJKURZLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2S/c1-15(13,14)12(7-3-2-4-7)8-5-9(10,11)6-8/h7-8H,2-6H2,1H3.
What are the key properties of N-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide?
N-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide has a molecular weight of 239.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide is sourced from PubChem (CID 142795381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).