butyl(difluoromethylsulfonyl)azanide

C5H10F2NO2S- — CID 168817434

IUPACbutyl(difluoromethylsulfonyl)azanide
SMILESCCCC[N-]S(=O)(=O)C(F)F
InChIInChI=1S/C5H10F2NO2S/c1-2-3-4-8-11(9,10)5(6)7/h5H,2-4H2,1H3/q-1
InChIKeyPKNKOJJPSJXQKY-UHFFFAOYSA-N
MW186.20 g/mol
LogP1.71
Rot. Bonds5

About butyl(difluoromethylsulfonyl)azanide

butyl(difluoromethylsulfonyl)azanide (PubChem CID 168817434) has the molecular formula C5H10F2NO2S- and a molecular weight of 186.20 g/mol. Its IUPAC name is butyl(difluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namebutyl(difluoromethylsulfonyl)azanide
PubChem CID168817434
Molecular FormulaC5H10F2NO2S-
Molecular Weight186.20 g/mol
Exact Mass186.04
IUPAC Namebutyl(difluoromethylsulfonyl)azanide
SMILESCCCC[N-]S(=O)(=O)C(F)F
InChIInChI=1S/C5H10F2NO2S/c1-2-3-4-8-11(9,10)5(6)7/h5H,2-4H2,1H3/q-1
InChIKeyPKNKOJJPSJXQKY-UHFFFAOYSA-N
XLogP1.71
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 312736
N-(2,2-difluoropropyl)methanesulfonamide
CID 18686371
Pentyl(trifluoromethylsulfonyl)azanide
CID 58427681
Propyl(trifluoromethylsulfonyl)azanide
CID 58427689
Butan-2-yl(trifluoromethylsulfonyl)azanide
CID 58427691
Hexyl(trifluoromethylsulfonyl)azanide
CID 58427692
2-Methylpropyl(trifluoromethylsulfonyl)azanide
CID 58427694
Butyl(trifluoromethylsulfonyl)azanide
CID 59566563
N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 60762994
N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 63932239
N-(4,4,4-trifluorobutyl)methanesulfonamide
CID 79040675
N-butyl-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 88559723

Frequently Asked Questions

What is the IUPAC name of butyl(difluoromethylsulfonyl)azanide?
The IUPAC name of butyl(difluoromethylsulfonyl)azanide (CID 168817434) is butyl(difluoromethylsulfonyl)azanide.
What is the SMILES notation for butyl(difluoromethylsulfonyl)azanide?
The canonical SMILES for butyl(difluoromethylsulfonyl)azanide is CCCC[N-]S(=O)(=O)C(F)F.
What is the InChIKey of butyl(difluoromethylsulfonyl)azanide?
The InChIKey is PKNKOJJPSJXQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2NO2S/c1-2-3-4-8-11(9,10)5(6)7/h5H,2-4H2,1H3/q-1.
What are the key properties of butyl(difluoromethylsulfonyl)azanide?
butyl(difluoromethylsulfonyl)azanide has a molecular weight of 186.20 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(difluoromethylsulfonyl)azanide is sourced from PubChem (CID 168817434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).