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2-(dimethylsulfamoyl)-5-fluorobenzamide

C9H11FN2O3S — CID 177115411

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(dimethylsulfamoyl)-5-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(F)cc1C(N)=O
InChIInChI=1S/C9H11FN2O3S/c1-12(2)16(14,15)8-4-3-6(10)5-7(8)9(11)13/h3-5H,1-2H3,(H2,11,13)
InChIKeyCEUNRZFMFINNJS-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.17
Rot. Bonds3

About 2-(dimethylsulfamoyl)-5-fluorobenzamide

2-(dimethylsulfamoyl)-5-fluorobenzamide (PubChem CID 177115411) has the molecular formula C9H11FN2O3S and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-(dimethylsulfamoyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-(dimethylsulfamoyl)-5-fluorobenzamide
PubChem CID177115411
Molecular FormulaC9H11FN2O3S
Molecular Weight246.26 g/mol
Exact Mass246.05
IUPAC Name2-(dimethylsulfamoyl)-5-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(F)cc1C(N)=O
InChIInChI=1S/C9H11FN2O3S/c1-12(2)16(14,15)8-4-3-6(10)5-7(8)9(11)13/h3-5H,1-2H3,(H2,11,13)
InChIKeyCEUNRZFMFINNJS-UHFFFAOYSA-N
XLogP0.17
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoyl)-5-fluorobenzamide?
The IUPAC name of 2-(dimethylsulfamoyl)-5-fluorobenzamide (CID 177115411) is 2-(dimethylsulfamoyl)-5-fluorobenzamide.
What is the SMILES notation for 2-(dimethylsulfamoyl)-5-fluorobenzamide?
The canonical SMILES for 2-(dimethylsulfamoyl)-5-fluorobenzamide is CN(C)S(=O)(=O)c1ccc(F)cc1C(N)=O.
What is the InChIKey of 2-(dimethylsulfamoyl)-5-fluorobenzamide?
The InChIKey is CEUNRZFMFINNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S/c1-12(2)16(14,15)8-4-3-6(10)5-7(8)9(11)13/h3-5H,1-2H3,(H2,11,13).
What are the key properties of 2-(dimethylsulfamoyl)-5-fluorobenzamide?
2-(dimethylsulfamoyl)-5-fluorobenzamide has a molecular weight of 246.26 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoyl)-5-fluorobenzamide is sourced from PubChem (CID 177115411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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