N-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C15H16F3NO3S — CID 71796910

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1cc(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)o1
InChIInChI=1S/C15H16F3NO3S/c1-10-7-13(11(2)22-10)8-19-23(20,21)9-12-3-5-14(6-4-12)15(16,17)18/h3-7,19H,8-9H2,1-2H3
InChIKeyFHGMGSWVMIKSQM-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.53
Rot. Bonds5

About N-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71796910) has the molecular formula C15H16F3NO3S and a molecular weight of 347.36 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71796910
Molecular FormulaC15H16F3NO3S
Molecular Weight347.36 g/mol
Exact Mass347.08
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1cc(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)o1
InChIInChI=1S/C15H16F3NO3S/c1-10-7-13(11(2)22-10)8-19-23(20,21)9-12-3-5-14(6-4-12)15(16,17)18/h3-7,19H,8-9H2,1-2H3
InChIKeyFHGMGSWVMIKSQM-UHFFFAOYSA-N
XLogP3.53
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 71796910) is N-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is Cc1cc(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is FHGMGSWVMIKSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3S/c1-10-7-13(11(2)22-10)8-19-23(20,21)9-12-3-5-14(6-4-12)15(16,17)18/h3-7,19H,8-9H2,1-2H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 347.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71796910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).