3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide

C14H15NO4S — CID 71798501

IUPAC3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCc2ccoc2)c1
InChIInChI=1S/C14H15NO4S/c1-11(16)13-3-2-4-14(9-13)20(17,18)15-7-5-12-6-8-19-10-12/h2-4,6,8-10,15H,5,7H2,1H3
InChIKeyXELBIWLVMPAWJK-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.00
Rot. Bonds6

About 3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide

3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide (PubChem CID 71798501) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide
PubChem CID71798501
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCc2ccoc2)c1
InChIInChI=1S/C14H15NO4S/c1-11(16)13-3-2-4-14(9-13)20(17,18)15-7-5-12-6-8-19-10-12/h2-4,6,8-10,15H,5,7H2,1H3
InChIKeyXELBIWLVMPAWJK-UHFFFAOYSA-N
XLogP2.00
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide (CID 71798501) is 3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCCc2ccoc2)c1.
What is the InChIKey of 3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide?
The InChIKey is XELBIWLVMPAWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-11(16)13-3-2-4-14(9-13)20(17,18)15-7-5-12-6-8-19-10-12/h2-4,6,8-10,15H,5,7H2,1H3.
What are the key properties of 3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide?
3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide has a molecular weight of 293.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(furan-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71798501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).