4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid

C11H13FN2O5S — CID 79186776

IUPAC4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid
SMILESCN(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C11H13FN2O5S/c1-14(2)10(15)6-13-20(18,19)9-4-3-7(11(16)17)5-8(9)12/h3-5,13H,6H2,1-2H3,(H,16,17)
InChIKeyRWACVYDWJVCFIC-UHFFFAOYSA-N
MW304.30 g/mol
LogP-0.11
Rot. Bonds5

About 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid

4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid (PubChem CID 79186776) has the molecular formula C11H13FN2O5S and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid
PubChem CID79186776
Molecular FormulaC11H13FN2O5S
Molecular Weight304.30 g/mol
Exact Mass304.05
IUPAC Name4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid
SMILESCN(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C11H13FN2O5S/c1-14(2)10(15)6-13-20(18,19)9-4-3-7(11(16)17)5-8(9)12/h3-5,13H,6H2,1-2H3,(H,16,17)
InChIKeyRWACVYDWJVCFIC-UHFFFAOYSA-N
XLogP-0.11
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid (CID 79186776) is 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid is CN(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F.
What is the InChIKey of 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid?
The InChIKey is RWACVYDWJVCFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5S/c1-14(2)10(15)6-13-20(18,19)9-4-3-7(11(16)17)5-8(9)12/h3-5,13H,6H2,1-2H3,(H,16,17).
What are the key properties of 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid?
4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid has a molecular weight of 304.30 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid is sourced from PubChem (CID 79186776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).