2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid

C18H19FN2O5S — CID 11338397

IUPAC2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1F
InChIInChI=1S/C18H19FN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyJGSQNQQKLSWOFH-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.81
Rot. Bonds7

About 2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid

2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid (PubChem CID 11338397) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid
PubChem CID11338397
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1F
InChIInChI=1S/C18H19FN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyJGSQNQQKLSWOFH-UHFFFAOYSA-N
XLogP2.81
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid (CID 11338397) is 2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1F.
What is the InChIKey of 2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid?
The InChIKey is JGSQNQQKLSWOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid?
2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid has a molecular weight of 394.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]amino]benzoic acid is sourced from PubChem (CID 11338397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).