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

C8H15F2NO2S — CID 155136315

IUPACN-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C8H15F2NO2S/c1-7(2,3)14(12,13)11-6-4-8(9,10)5-6/h6,11H,4-5H2,1-3H3
InChIKeyDAGGYAMBWLDCSN-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.50
Rot. Bonds2

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

N-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide (PubChem CID 155136315) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide
PubChem CID155136315
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC NameN-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C8H15F2NO2S/c1-7(2,3)14(12,13)11-6-4-8(9,10)5-6/h6,11H,4-5H2,1-3H3
InChIKeyDAGGYAMBWLDCSN-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Butyl-perfluorobutanesulfonamide
CID 86068657
n-(3,3-Difluoro-cyclobutyl)-methanesulfonamide
CID 22500956
N-cyclobutyl-1,1,1-trifluoromethanesulfonamide
CID 23208885
N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide
CID 118423364
N-butyl-1,1,2-trifluoroethanesulfonamide
CID 123865655
1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide
CID 129294807
N-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 129294808
1,1,2,2,3,3,4,4,4-nonafluoro-N-propan-2-ylbutane-1-sulfonamide
CID 129294813
1,1,2,2,3,3,3-heptafluoro-N-propan-2-ylpropane-1-sulfonamide
CID 129302366
N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide
CID 134403425
N-(3-fluorocyclobutyl)propane-2-sulfonamide
CID 146284040
2-amino-N-(3,3-difluorocyclobutyl)ethanesulfonamide
CID 157027154

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide (CID 155136315) is N-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide?
The InChIKey is DAGGYAMBWLDCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-7(2,3)14(12,13)11-6-4-8(9,10)5-6/h6,11H,4-5H2,1-3H3.
What are the key properties of N-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide?
N-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 155136315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).