N-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide

C9H15F2NO2S — CID 176805087

IUPACN-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CC(=C(F)F)C1
InChIInChI=1S/C9H15F2NO2S/c1-9(2,3)12-15(13,14)7-4-6(5-7)8(10)11/h7,12H,4-5H2,1-3H3
InChIKeyDCSNXBUAVFGSTQ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.02
Rot. Bonds2

About N-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide

N-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide (PubChem CID 176805087) has the molecular formula C9H15F2NO2S and a molecular weight of 239.29 g/mol. Its IUPAC name is N-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide
PubChem CID176805087
Molecular FormulaC9H15F2NO2S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC NameN-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CC(=C(F)F)C1
InChIInChI=1S/C9H15F2NO2S/c1-9(2,3)12-15(13,14)7-4-6(5-7)8(10)11/h7,12H,4-5H2,1-3H3
InChIKeyDCSNXBUAVFGSTQ-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide?
The IUPAC name of N-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide (CID 176805087) is N-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide is CC(C)(C)NS(=O)(=O)C1CC(=C(F)F)C1.
What is the InChIKey of N-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide?
The InChIKey is DCSNXBUAVFGSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2S/c1-9(2,3)12-15(13,14)7-4-6(5-7)8(10)11/h7,12H,4-5H2,1-3H3.
What are the key properties of N-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide?
N-tert-butyl-3-(difluoromethylidene)cyclobutane-1-sulfonamide has a molecular weight of 239.29 g/mol, XLogP of 2.02, 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-(difluoromethylidene)cyclobutane-1-sulfonamide is sourced from PubChem (CID 176805087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).