N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide

C8H15F2NO2S — CID 168726759

IUPACN-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)C1CC(F)(F)C1
InChIInChI=1S/C8H15F2NO2S/c1-6(2)14(12,13)11(3)7-4-8(9,10)5-7/h6-7H,4-5H2,1-3H3
InChIKeyIHJBYNIPFNAKLO-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.45
Rot. Bonds3

About N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide

N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide (PubChem CID 168726759) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide
PubChem CID168726759
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC NameN-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)C1CC(F)(F)C1
InChIInChI=1S/C8H15F2NO2S/c1-6(2)14(12,13)11(3)7-4-8(9,10)5-7/h6-7H,4-5H2,1-3H3
InChIKeyIHJBYNIPFNAKLO-UHFFFAOYSA-N
XLogP1.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-N-methylpentane-1-sulfonamide
CID 75522285
N,N-dibutyl-2,2,2-trifluoroethanesulfonamide
CID 89281446
N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
CID 89281508
N-butyl-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide
CID 89281513
N-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide
CID 89281517
N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide
CID 89281546
N,N-dibutyl-3,3,3-trifluoropropane-1-sulfonamide
CID 89281547
N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
CID 89281551
N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide
CID 89281588
N-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide
CID 130218626
3,3,3-trifluoro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpropane-1-sulfonamide
CID 140074414
1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide
CID 142744142

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide (CID 168726759) is N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide is CC(C)S(=O)(=O)N(C)C1CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide?
The InChIKey is IHJBYNIPFNAKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-6(2)14(12,13)11(3)7-4-8(9,10)5-7/h6-7H,4-5H2,1-3H3.
What are the key properties of N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide?
N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 168726759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).