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

C24H24N2O6S — CID 11751717

IUPAC2-[[3-(diethylsulfamoyl)-4-phenoxybenzoyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1Oc1ccccc1
InChIInChI=1S/C24H24N2O6S/c1-3-26(4-2)33(30,31)22-16-17(14-15-21(22)32-18-10-6-5-7-11-18)23(27)25-20-13-9-8-12-19(20)24(28)29/h5-16H,3-4H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyZDVAYOGJKIWJAT-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.46
Rot. Bonds9

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

2-[[3-(diethylsulfamoyl)-4-phenoxybenzoyl]amino]benzoic acid (PubChem CID 11751717) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is 2-[[3-(diethylsulfamoyl)-4-phenoxybenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-(diethylsulfamoyl)-4-phenoxybenzoyl]amino]benzoic acid
PubChem CID11751717
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Name2-[[3-(diethylsulfamoyl)-4-phenoxybenzoyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1Oc1ccccc1
InChIInChI=1S/C24H24N2O6S/c1-3-26(4-2)33(30,31)22-16-17(14-15-21(22)32-18-10-6-5-7-11-18)23(27)25-20-13-9-8-12-19(20)24(28)29/h5-16H,3-4H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyZDVAYOGJKIWJAT-UHFFFAOYSA-N
XLogP4.46
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylsulfamoyl)-4-phenoxybenzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-(diethylsulfamoyl)-4-phenoxybenzoyl]amino]benzoic acid (CID 11751717) is 2-[[3-(diethylsulfamoyl)-4-phenoxybenzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-(diethylsulfamoyl)-4-phenoxybenzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-(diethylsulfamoyl)-4-phenoxybenzoyl]amino]benzoic acid is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1Oc1ccccc1.
What is the InChIKey of 2-[[3-(diethylsulfamoyl)-4-phenoxybenzoyl]amino]benzoic acid?
The InChIKey is ZDVAYOGJKIWJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-3-26(4-2)33(30,31)22-16-17(14-15-21(22)32-18-10-6-5-7-11-18)23(27)25-20-13-9-8-12-19(20)24(28)29/h5-16H,3-4H2,1-2H3,(H,25,27)(H,28,29).
What are the key properties of 2-[[3-(diethylsulfamoyl)-4-phenoxybenzoyl]amino]benzoic acid?
2-[[3-(diethylsulfamoyl)-4-phenoxybenzoyl]amino]benzoic acid has a molecular weight of 468.53 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylsulfamoyl)-4-phenoxybenzoyl]amino]benzoic acid is sourced from PubChem (CID 11751717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).