N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide

C12H14N2O3S — CID 166233836

IUPACN-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide
SMILESCC(c1ccncc1)N(C)S(=O)(=O)c1ccco1
InChIInChI=1S/C12H14N2O3S/c1-10(11-5-7-13-8-6-11)14(2)18(15,16)12-4-3-9-17-12/h3-10H,1-2H3
InChIKeyNBAUCNFHPCIFPS-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.06
Rot. Bonds4

About N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide

N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide (PubChem CID 166233836) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide
PubChem CID166233836
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide
SMILESCC(c1ccncc1)N(C)S(=O)(=O)c1ccco1
InChIInChI=1S/C12H14N2O3S/c1-10(11-5-7-13-8-6-11)14(2)18(15,16)12-4-3-9-17-12/h3-10H,1-2H3
InChIKeyNBAUCNFHPCIFPS-UHFFFAOYSA-N
XLogP2.06
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide?
The IUPAC name of N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide (CID 166233836) is N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide?
The canonical SMILES for N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide is CC(c1ccncc1)N(C)S(=O)(=O)c1ccco1.
What is the InChIKey of N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide?
The InChIKey is NBAUCNFHPCIFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-10(11-5-7-13-8-6-11)14(2)18(15,16)12-4-3-9-17-12/h3-10H,1-2H3.
What are the key properties of N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide?
N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide has a molecular weight of 266.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide is sourced from PubChem (CID 166233836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).