N-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide

C8H15F2NO2S — CID 130209119

IUPACN-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CC(F)(F)C1
InChIInChI=1S/C8H15F2NO2S/c1-7(2,3)11-14(12,13)6-4-8(9,10)5-6/h6,11H,4-5H2,1-3H3
InChIKeyALXRARGFMAGWQZ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.50
Rot. Bonds2

About N-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide

N-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide (PubChem CID 130209119) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide
PubChem CID130209119
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC NameN-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CC(F)(F)C1
InChIInChI=1S/C8H15F2NO2S/c1-7(2,3)11-14(12,13)6-4-8(9,10)5-6/h6,11H,4-5H2,1-3H3
InChIKeyALXRARGFMAGWQZ-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-tert-butyl-2,2,2-trifluoroethanesulfonamide
CID 21027127
N-tert-butyl-1-fluoroethanesulfonamide
CID 130208651
N-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide
CID 130208656
N-butan-2-yl-3,3-difluorocyclobutane-1-sulfonamide
CID 134403425
N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide
CID 146411779
2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide
CID 166982836
N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide
CID 168726652
N-(3,3-difluoro-1-methylcyclobutyl)propane-2-sulfonamide
CID 170176054
N-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide
CID 176805087
N-(Tert-butyl)-1-(trifluoromethyl)cyclopropane-1-sulfonamide
CID 73425286
N-(2-cyanopropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058902
4,4,4-trifluoro-N-(2-methylbut-3-yn-2-yl)butane-1-sulfonamide
CID 83060147

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide?
The IUPAC name of N-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide (CID 130209119) is N-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide is CC(C)(C)NS(=O)(=O)C1CC(F)(F)C1.
What is the InChIKey of N-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide?
The InChIKey is ALXRARGFMAGWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-7(2,3)11-14(12,13)6-4-8(9,10)5-6/h6,11H,4-5H2,1-3H3.
What are the key properties of N-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide?
N-tert-butyl-3,3-difluorocyclobutane-1-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-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide is sourced from PubChem (CID 130209119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).