N-tert-butyl-1,1-difluoromethanesulfonamide

C5H11F2NO2S — CID 64541188

IUPACN-tert-butyl-1,1-difluoromethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO2S/c1-5(2,3)8-11(9,10)4(6)7/h4,8H,1-3H3
InChIKeyGIAYJCLPBHJURH-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.93
Rot. Bonds2

About N-tert-butyl-1,1-difluoromethanesulfonamide

N-tert-butyl-1,1-difluoromethanesulfonamide (PubChem CID 64541188) has the molecular formula C5H11F2NO2S and a molecular weight of 187.21 g/mol. Its IUPAC name is N-tert-butyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1,1-difluoromethanesulfonamide
PubChem CID64541188
Molecular FormulaC5H11F2NO2S
Molecular Weight187.21 g/mol
Exact Mass187.05
IUPAC NameN-tert-butyl-1,1-difluoromethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO2S/c1-5(2,3)8-11(9,10)4(6)7/h4,8H,1-3H3
InChIKeyGIAYJCLPBHJURH-UHFFFAOYSA-N
XLogP0.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-tert-butyl-1,1-difluoromethanesulfonamide (CID 64541188) is N-tert-butyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-tert-butyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-tert-butyl-1,1-difluoromethanesulfonamide is CC(C)(C)NS(=O)(=O)C(F)F.
What is the InChIKey of N-tert-butyl-1,1-difluoromethanesulfonamide?
The InChIKey is GIAYJCLPBHJURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO2S/c1-5(2,3)8-11(9,10)4(6)7/h4,8H,1-3H3.
What are the key properties of N-tert-butyl-1,1-difluoromethanesulfonamide?
N-tert-butyl-1,1-difluoromethanesulfonamide has a molecular weight of 187.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 64541188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).