N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide

C6H6F3NO3S — CID 59588879

IUPACN-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)o1
InChIInChI=1S/C6H6F3NO3S/c1-14(11,12)10-5-3-2-4(13-5)6(7,8)9/h2-3,10H,1H3
InChIKeyQDAQBRXPJWUQJU-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.67
Rot. Bonds2

About N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide

N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide (PubChem CID 59588879) has the molecular formula C6H6F3NO3S and a molecular weight of 229.18 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide
PubChem CID59588879
Molecular FormulaC6H6F3NO3S
Molecular Weight229.18 g/mol
Exact Mass229.00
IUPAC NameN-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)o1
InChIInChI=1S/C6H6F3NO3S/c1-14(11,12)10-5-3-2-4(13-5)6(7,8)9/h2-3,10H,1H3
InChIKeyQDAQBRXPJWUQJU-UHFFFAOYSA-N
XLogP1.67
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide (CID 59588879) is N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(F)(F)F)o1.
What is the InChIKey of N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide?
The InChIKey is QDAQBRXPJWUQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO3S/c1-14(11,12)10-5-3-2-4(13-5)6(7,8)9/h2-3,10H,1H3.
What are the key properties of N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide?
N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide has a molecular weight of 229.18 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide is sourced from PubChem (CID 59588879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).