1,1-difluoro-N-pentylmethanesulfonamide

C6H13F2NO2S — CID 88766737

IUPAC1,1-difluoro-N-pentylmethanesulfonamide
SMILESCCCCCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2NO2S/c1-2-3-4-5-9-12(10,11)6(7)8/h6,9H,2-5H2,1H3
InChIKeyXITUSJFWEJRMHW-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.32
Rot. Bonds6

About 1,1-difluoro-N-pentylmethanesulfonamide

1,1-difluoro-N-pentylmethanesulfonamide (PubChem CID 88766737) has the molecular formula C6H13F2NO2S and a molecular weight of 201.24 g/mol. Its IUPAC name is 1,1-difluoro-N-pentylmethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-pentylmethanesulfonamide
PubChem CID88766737
Molecular FormulaC6H13F2NO2S
Molecular Weight201.24 g/mol
Exact Mass201.06
IUPAC Name1,1-difluoro-N-pentylmethanesulfonamide
SMILESCCCCCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2NO2S/c1-2-3-4-5-9-12(10,11)6(7)8/h6,9H,2-5H2,1H3
InChIKeyXITUSJFWEJRMHW-UHFFFAOYSA-N
XLogP1.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-pentylmethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-pentylmethanesulfonamide (CID 88766737) is 1,1-difluoro-N-pentylmethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-pentylmethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-pentylmethanesulfonamide is CCCCCNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-pentylmethanesulfonamide?
The InChIKey is XITUSJFWEJRMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO2S/c1-2-3-4-5-9-12(10,11)6(7)8/h6,9H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-N-pentylmethanesulfonamide?
1,1-difluoro-N-pentylmethanesulfonamide has a molecular weight of 201.24 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-pentylmethanesulfonamide is sourced from PubChem (CID 88766737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).