4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid

C20H14Cl2N2O5S — CID 11979264

IUPAC4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C20H14Cl2N2O5S/c21-17-9-8-16(11-18(17)22)30(28,29)24-15-3-1-2-13(10-15)19(25)23-14-6-4-12(5-7-14)20(26)27/h1-11,24H,(H,23,25)(H,26,27)
InChIKeyQAZGHRFRENNQAG-UHFFFAOYSA-N
MW465.31 g/mol
LogP4.74
Rot. Bonds6

About 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid

4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid (PubChem CID 11979264) has the molecular formula C20H14Cl2N2O5S and a molecular weight of 465.31 g/mol. Its IUPAC name is 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid
PubChem CID11979264
Molecular FormulaC20H14Cl2N2O5S
Molecular Weight465.31 g/mol
Exact Mass464.00
IUPAC Name4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C20H14Cl2N2O5S/c21-17-9-8-16(11-18(17)22)30(28,29)24-15-3-1-2-13(10-15)19(25)23-14-6-4-12(5-7-14)20(26)27/h1-11,24H,(H,23,25)(H,26,27)
InChIKeyQAZGHRFRENNQAG-UHFFFAOYSA-N
XLogP4.74
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.31
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid (CID 11979264) is 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)cc1.
What is the InChIKey of 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The InChIKey is QAZGHRFRENNQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O5S/c21-17-9-8-16(11-18(17)22)30(28,29)24-15-3-1-2-13(10-15)19(25)23-14-6-4-12(5-7-14)20(26)27/h1-11,24H,(H,23,25)(H,26,27).
What are the key properties of 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid?
4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid has a molecular weight of 465.31 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 11979264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).