3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide

C14H16N2O4S — CID 652389

IUPAC3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C14H16N2O4S/c1-16(2)21(18,19)13-7-3-5-11(9-13)14(17)15-10-12-6-4-8-20-12/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyIZSSQPWQOUZBIK-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.46
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide

3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 652389) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
PubChem CID652389
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C14H16N2O4S/c1-16(2)21(18,19)13-7-3-5-11(9-13)14(17)15-10-12-6-4-8-20-12/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyIZSSQPWQOUZBIK-UHFFFAOYSA-N
XLogP1.46
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide (CID 652389) is 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is IZSSQPWQOUZBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-16(2)21(18,19)13-7-3-5-11(9-13)14(17)15-10-12-6-4-8-20-12/h3-9H,10H2,1-2H3,(H,15,17).
What are the key properties of 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide?
3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 308.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 652389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).