N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide

C12H14N2O3S — CID 121197266

IUPACN-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cncc(-c2ccco2)c1
InChIInChI=1S/C12H14N2O3S/c1-2-18(15,16)14-8-10-6-11(9-13-7-10)12-4-3-5-17-12/h3-7,9,14H,2,8H2,1H3
InChIKeyQDNVSQCCQVLOIX-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.78
Rot. Bonds5

About N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide (PubChem CID 121197266) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
PubChem CID121197266
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cncc(-c2ccco2)c1
InChIInChI=1S/C12H14N2O3S/c1-2-18(15,16)14-8-10-6-11(9-13-7-10)12-4-3-5-17-12/h3-7,9,14H,2,8H2,1H3
InChIKeyQDNVSQCCQVLOIX-UHFFFAOYSA-N
XLogP1.78
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide (CID 121197266) is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cncc(-c2ccco2)c1.
What is the InChIKey of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The InChIKey is QDNVSQCCQVLOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-2-18(15,16)14-8-10-6-11(9-13-7-10)12-4-3-5-17-12/h3-7,9,14H,2,8H2,1H3.
What are the key properties of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide is sourced from PubChem (CID 121197266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).