hexyl(trifluoromethylsulfonyl)azanide

C7H13F3NO2S- — CID 58427692

IUPAChexyl(trifluoromethylsulfonyl)azanide
SMILESCCCCCC[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F3NO2S/c1-2-3-4-5-6-11-14(12,13)7(8,9)10/h2-6H2,1H3/q-1
InChIKeyISWLVHNLGDDIGW-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.79
Rot. Bonds6

About hexyl(trifluoromethylsulfonyl)azanide

hexyl(trifluoromethylsulfonyl)azanide (PubChem CID 58427692) has the molecular formula C7H13F3NO2S- and a molecular weight of 232.25 g/mol. Its IUPAC name is hexyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namehexyl(trifluoromethylsulfonyl)azanide
PubChem CID58427692
Molecular FormulaC7H13F3NO2S-
Molecular Weight232.25 g/mol
Exact Mass232.06
IUPAC Namehexyl(trifluoromethylsulfonyl)azanide
SMILESCCCCCC[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F3NO2S/c1-2-3-4-5-6-11-14(12,13)7(8,9)10/h2-6H2,1H3/q-1
InChIKeyISWLVHNLGDDIGW-UHFFFAOYSA-N
XLogP2.79
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.79
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

1,1,1-trifluoro-N-hexylmethanesulfonamide
CID 58427693
1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87353134
Pentyl(trifluoromethylsulfonyl)azanide
CID 58427681
1,1,1-trifluoro-N-pentylmethanesulfonamide
CID 58427682
Butyl(trifluoromethylsulfonyl)azanide
CID 59566563
N-bromo-1-fluoro-N-hexylmethanesulfonamide
CID 118574432
Cyclohexyl(trifluoromethylsulfonyl)azanide
CID 140579223
N-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide
CID 165009901
Butyl(difluoromethylsulfonyl)azanide
CID 168817434
1,1,1-trifluoro-N-pentyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 157882317
1,1,1-trifluoro-N-oxido-N-pentylmethanesulfonamide
CID 163735024

Frequently Asked Questions

What is the IUPAC name of hexyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of hexyl(trifluoromethylsulfonyl)azanide (CID 58427692) is hexyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for hexyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for hexyl(trifluoromethylsulfonyl)azanide is CCCCCC[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of hexyl(trifluoromethylsulfonyl)azanide?
The InChIKey is ISWLVHNLGDDIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3NO2S/c1-2-3-4-5-6-11-14(12,13)7(8,9)10/h2-6H2,1H3/q-1.
What are the key properties of hexyl(trifluoromethylsulfonyl)azanide?
hexyl(trifluoromethylsulfonyl)azanide has a molecular weight of 232.25 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 58427692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).