N-(7,7,7-trifluoroheptyl)methanesulfonamide

C8H16F3NO2S — CID 138981048

IUPACN-(7,7,7-trifluoroheptyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-15(13,14)12-7-5-3-2-4-6-8(9,10)11/h12H,2-7H2,1H3
InChIKeyFYUXYLSTSVFFHE-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.05
Rot. Bonds7

About N-(7,7,7-trifluoroheptyl)methanesulfonamide

N-(7,7,7-trifluoroheptyl)methanesulfonamide (PubChem CID 138981048) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(7,7,7-trifluoroheptyl)methanesulfonamide.

Molecular Properties

Compound NameN-(7,7,7-trifluoroheptyl)methanesulfonamide
PubChem CID138981048
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC NameN-(7,7,7-trifluoroheptyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-15(13,14)12-7-5-3-2-4-6-8(9,10)11/h12H,2-7H2,1H3
InChIKeyFYUXYLSTSVFFHE-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7,7,7-trifluoroheptyl)methanesulfonamide?
The IUPAC name of N-(7,7,7-trifluoroheptyl)methanesulfonamide (CID 138981048) is N-(7,7,7-trifluoroheptyl)methanesulfonamide.
What is the SMILES notation for N-(7,7,7-trifluoroheptyl)methanesulfonamide?
The canonical SMILES for N-(7,7,7-trifluoroheptyl)methanesulfonamide is CS(=O)(=O)NCCCCCCC(F)(F)F.
What is the InChIKey of N-(7,7,7-trifluoroheptyl)methanesulfonamide?
The InChIKey is FYUXYLSTSVFFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-15(13,14)12-7-5-3-2-4-6-8(9,10)11/h12H,2-7H2,1H3.
What are the key properties of N-(7,7,7-trifluoroheptyl)methanesulfonamide?
N-(7,7,7-trifluoroheptyl)methanesulfonamide has a molecular weight of 247.28 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7,7-trifluoroheptyl)methanesulfonamide is sourced from PubChem (CID 138981048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).