N-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide

C10H9F6NO2S — CID 126638199

IUPACN-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H9F6NO2S/c11-8(12)9(13,14)10(15,16)20(18,19)17-6-7-4-2-1-3-5-7/h1-5,8,17H,6H2
InChIKeyUGHHASTVORXUHC-UHFFFAOYSA-N
MW321.24 g/mol
LogP2.60
Rot. Bonds6

About N-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide

N-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide (PubChem CID 126638199) has the molecular formula C10H9F6NO2S and a molecular weight of 321.24 g/mol. Its IUPAC name is N-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
PubChem CID126638199
Molecular FormulaC10H9F6NO2S
Molecular Weight321.24 g/mol
Exact Mass321.03
IUPAC NameN-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H9F6NO2S/c11-8(12)9(13,14)10(15,16)20(18,19)17-6-7-4-2-1-3-5-7/h1-5,8,17H,6H2
InChIKeyUGHHASTVORXUHC-UHFFFAOYSA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
The IUPAC name of N-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide (CID 126638199) is N-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide.
What is the SMILES notation for N-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
The canonical SMILES for N-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide is O=S(=O)(NCc1ccccc1)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
The InChIKey is UGHHASTVORXUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO2S/c11-8(12)9(13,14)10(15,16)20(18,19)17-6-7-4-2-1-3-5-7/h1-5,8,17H,6H2.
What are the key properties of N-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
N-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide has a molecular weight of 321.24 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide is sourced from PubChem (CID 126638199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).