N-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide

C7H10F7NO2S — CID 129294808

IUPACN-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
SMILESCCC(C)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F7NO2S/c1-3-4(2)15-18(16,17)7(13,14)5(8,9)6(10,11)12/h4,15H,3H2,1-2H3
InChIKeyQPSIOEZMOSXKDP-UHFFFAOYSA-N
MW305.22 g/mol
LogP2.49
Rot. Bonds5

About N-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide

N-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide (PubChem CID 129294808) has the molecular formula C7H10F7NO2S and a molecular weight of 305.22 g/mol. Its IUPAC name is N-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
PubChem CID129294808
Molecular FormulaC7H10F7NO2S
Molecular Weight305.22 g/mol
Exact Mass305.03
IUPAC NameN-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
SMILESCCC(C)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F7NO2S/c1-3-4(2)15-18(16,17)7(13,14)5(8,9)6(10,11)12/h4,15H,3H2,1-2H3
InChIKeyQPSIOEZMOSXKDP-UHFFFAOYSA-N
XLogP2.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The IUPAC name of N-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide (CID 129294808) is N-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide.
What is the SMILES notation for N-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The canonical SMILES for N-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide is CCC(C)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The InChIKey is QPSIOEZMOSXKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F7NO2S/c1-3-4(2)15-18(16,17)7(13,14)5(8,9)6(10,11)12/h4,15H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
N-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide has a molecular weight of 305.22 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide is sourced from PubChem (CID 129294808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).