N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide

C13H16N2O3S — CID 121196930

IUPACN-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc(-c2ccoc2)nc1
InChIInChI=1S/C13H16N2O3S/c1-2-7-19(16,17)15-9-11-3-4-13(14-8-11)12-5-6-18-10-12/h3-6,8,10,15H,2,7,9H2,1H3
InChIKeyRMEFBOXSSHIFLV-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.17
Rot. Bonds6

About N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide (PubChem CID 121196930) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide
PubChem CID121196930
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc(-c2ccoc2)nc1
InChIInChI=1S/C13H16N2O3S/c1-2-7-19(16,17)15-9-11-3-4-13(14-8-11)12-5-6-18-10-12/h3-6,8,10,15H,2,7,9H2,1H3
InChIKeyRMEFBOXSSHIFLV-UHFFFAOYSA-N
XLogP2.17
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide (CID 121196930) is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc(-c2ccoc2)nc1.
What is the InChIKey of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide?
The InChIKey is RMEFBOXSSHIFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-2-7-19(16,17)15-9-11-3-4-13(14-8-11)12-5-6-18-10-12/h3-6,8,10,15H,2,7,9H2,1H3.
What are the key properties of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide?
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 121196930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).