N-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide

C7H8F5NO2S2 — CID 59731058

IUPACN-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C7H8F5NO2S2/c1-16(14,15)13-6-3-2-4-7(5-6)17(8,9,10,11)12/h2-5,13H,1H3
InChIKeyJIOMVOUDFNDFPY-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.72
Rot. Bonds3

About N-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide

N-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide (PubChem CID 59731058) has the molecular formula C7H8F5NO2S2 and a molecular weight of 297.27 g/mol. Its IUPAC name is N-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide
PubChem CID59731058
Molecular FormulaC7H8F5NO2S2
Molecular Weight297.27 g/mol
Exact Mass296.99
IUPAC NameN-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C7H8F5NO2S2/c1-16(14,15)13-6-3-2-4-7(5-6)17(8,9,10,11)12/h2-5,13H,1H3
InChIKeyJIOMVOUDFNDFPY-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide (CID 59731058) is N-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of N-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide?
The InChIKey is JIOMVOUDFNDFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO2S2/c1-16(14,15)13-6-3-2-4-7(5-6)17(8,9,10,11)12/h2-5,13H,1H3.
What are the key properties of N-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide?
N-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide has a molecular weight of 297.27 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide is sourced from PubChem (CID 59731058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).