4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide

C19H18N2O6S2 — CID 2543666

IUPAC4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C19H18N2O6S2/c1-14(22)15-4-8-19(9-5-15)29(25,26)21-16-6-10-18(11-7-16)28(23,24)20-13-17-3-2-12-27-17/h2-12,20-21H,13H2,1H3
InChIKeyNVZMZKGZJUNQJL-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.76
Rot. Bonds8

About 4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide

4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 2543666) has the molecular formula C19H18N2O6S2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID2543666
Molecular FormulaC19H18N2O6S2
Molecular Weight434.50 g/mol
Exact Mass434.06
IUPAC Name4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C19H18N2O6S2/c1-14(22)15-4-8-19(9-5-15)29(25,26)21-16-6-10-18(11-7-16)28(23,24)20-13-17-3-2-12-27-17/h2-12,20-21H,13H2,1H3
InChIKeyNVZMZKGZJUNQJL-UHFFFAOYSA-N
XLogP2.76
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide (CID 2543666) is 4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is NVZMZKGZJUNQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6S2/c1-14(22)15-4-8-19(9-5-15)29(25,26)21-16-6-10-18(11-7-16)28(23,24)20-13-17-3-2-12-27-17/h2-12,20-21H,13H2,1H3.
What are the key properties of 4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide?
4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 434.50 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2543666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).