2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide

C6H13F2NO2S — CID 58525236

IUPAC2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CC(C)(F)F
InChIInChI=1S/C6H13F2NO2S/c1-5(2)9-12(10,11)4-6(3,7)8/h5,9H,4H2,1-3H3
InChIKeyJRRKDJNCEGQPPQ-UHFFFAOYSA-N
MW201.24 g/mol
LogP0.97
Rot. Bonds4

About 2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide

2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 58525236) has the molecular formula C6H13F2NO2S and a molecular weight of 201.24 g/mol. Its IUPAC name is 2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide
PubChem CID58525236
Molecular FormulaC6H13F2NO2S
Molecular Weight201.24 g/mol
Exact Mass201.06
IUPAC Name2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CC(C)(F)F
InChIInChI=1S/C6H13F2NO2S/c1-5(2)9-12(10,11)4-6(3,7)8/h5,9H,4H2,1-3H3
InChIKeyJRRKDJNCEGQPPQ-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of 2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide (CID 58525236) is 2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for 2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide is CC(C)NS(=O)(=O)CC(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is JRRKDJNCEGQPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO2S/c1-5(2)9-12(10,11)4-6(3,7)8/h5,9H,4H2,1-3H3.
What are the key properties of 2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide?
2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 201.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 58525236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).