1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide

C3H2F7NO2S — CID 12522024

IUPAC1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide
SMILESNS(=O)(=O)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F7NO2S/c4-1(2(5,6)7,3(8,9)10)14(11,12)13/h(H2,11,12,13)
InChIKeyHNAJZEMWBZNQPL-UHFFFAOYSA-N
MW249.11 g/mol
LogP1.07
Rot. Bonds1

About 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide

1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide (PubChem CID 12522024) has the molecular formula C3H2F7NO2S and a molecular weight of 249.11 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide
PubChem CID12522024
Molecular FormulaC3H2F7NO2S
Molecular Weight249.11 g/mol
Exact Mass248.97
IUPAC Name1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide
SMILESNS(=O)(=O)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F7NO2S/c4-1(2(5,6)7,3(8,9)10)14(11,12)13/h(H2,11,12,13)
InChIKeyHNAJZEMWBZNQPL-UHFFFAOYSA-N
XLogP1.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide (CID 12522024) is 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide is NS(=O)(=O)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide?
The InChIKey is HNAJZEMWBZNQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F7NO2S/c4-1(2(5,6)7,3(8,9)10)14(11,12)13/h(H2,11,12,13).
What are the key properties of 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide?
1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide has a molecular weight of 249.11 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonamide is sourced from PubChem (CID 12522024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).