5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide

C13H14N2O4S — CID 1087776

IUPAC5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(N)=O
InChIInChI=1S/C13H14N2O4S/c1-9-4-5-11(7-12(9)13(14)16)20(17,18)15-8-10-3-2-6-19-10/h2-7,15H,8H2,1H3,(H2,14,16)
InChIKeyDAHVLDRVCGOWPZ-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.17
Rot. Bonds5

About 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide

5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide (PubChem CID 1087776) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
PubChem CID1087776
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(N)=O
InChIInChI=1S/C13H14N2O4S/c1-9-4-5-11(7-12(9)13(14)16)20(17,18)15-8-10-3-2-6-19-10/h2-7,15H,8H2,1H3,(H2,14,16)
InChIKeyDAHVLDRVCGOWPZ-UHFFFAOYSA-N
XLogP1.17
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide (CID 1087776) is 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(N)=O.
What is the InChIKey of 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide?
The InChIKey is DAHVLDRVCGOWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-9-4-5-11(7-12(9)13(14)16)20(17,18)15-8-10-3-2-6-19-10/h2-7,15H,8H2,1H3,(H2,14,16).
What are the key properties of 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide?
5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide has a molecular weight of 294.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 1087776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).