4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide

C13H13NO4S — CID 2414071

IUPAC4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C13H13NO4S/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h2-8,14H,9H2,1H3
InChIKeyIXVMRHFCCUTRAI-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.96
Rot. Bonds5

About 4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide

4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 2414071) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID2414071
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C13H13NO4S/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h2-8,14H,9H2,1H3
InChIKeyIXVMRHFCCUTRAI-UHFFFAOYSA-N
XLogP1.96
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide (CID 2414071) is 4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is IXVMRHFCCUTRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h2-8,14H,9H2,1H3.
What are the key properties of 4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide?
4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2414071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).