N-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide

C15H13F3N2O3S — CID 167989466

IUPACN-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1C(F)(F)F)Nc1nccc2c1CCO2
InChIInChI=1S/C15H13F3N2O3S/c16-15(17,18)12-4-2-1-3-10(12)9-24(21,22)20-14-11-6-8-23-13(11)5-7-19-14/h1-5,7H,6,8-9H2,(H,19,20)
InChIKeyGOVJUFVMXLDCFI-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.98
Rot. Bonds4

About N-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide

N-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 167989466) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID167989466
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC NameN-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1C(F)(F)F)Nc1nccc2c1CCO2
InChIInChI=1S/C15H13F3N2O3S/c16-15(17,18)12-4-2-1-3-10(12)9-24(21,22)20-14-11-6-8-23-13(11)5-7-19-14/h1-5,7H,6,8-9H2,(H,19,20)
InChIKeyGOVJUFVMXLDCFI-UHFFFAOYSA-N
XLogP2.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide (CID 167989466) is N-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1nccc2c1CCO2.
What is the InChIKey of N-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is GOVJUFVMXLDCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c16-15(17,18)12-4-2-1-3-10(12)9-24(21,22)20-14-11-6-8-23-13(11)5-7-19-14/h1-5,7H,6,8-9H2,(H,19,20).
What are the key properties of N-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
N-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 358.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 167989466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).