3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid

C13H9Cl2NO4S — CID 762841

IUPAC3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H9Cl2NO4S/c14-9-4-5-11(15)12(7-9)21(19,20)16-10-3-1-2-8(6-10)13(17)18/h1-7,16H,(H,17,18)
InChIKeyCQEZSDZFELLDDA-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.49
Rot. Bonds4

About 3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid

3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid (PubChem CID 762841) has the molecular formula C13H9Cl2NO4S and a molecular weight of 346.19 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
PubChem CID762841
Molecular FormulaC13H9Cl2NO4S
Molecular Weight346.19 g/mol
Exact Mass344.96
IUPAC Name3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H9Cl2NO4S/c14-9-4-5-11(15)12(7-9)21(19,20)16-10-3-1-2-8(6-10)13(17)18/h1-7,16H,(H,17,18)
InChIKeyCQEZSDZFELLDDA-UHFFFAOYSA-N
XLogP3.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-((2-Chlorophenyl)sulfamoyl)benzoic acid
CID 699751
4-[(3-Chloro-4-fluorophenyl)sulfamoyl]benzoic acid
CID 665205
4-(((4-Chlorophenyl)sulfonyl)amino)benzoic acid
CID 39854
3-Benzenesulfonamidobenzoic acid
CID 792201
Amberlite IR 120 Plus
CID 8190984
4-(2,5-Dichlorobenzenesulfonamido)benzoic acid
CID 776763
Benzoic acid, 4-[[(2,5-dichlorophenyl)sulfonyl]amino]-, ethyl ester
CID 986650
4-(Phenylsulfamoyl)benzoic acid
CID 229359
2-(4-Chlorobenzenesulfonamido)benzoic acid
CID 362690
4-(((3-Chlorophenyl)sulfonyl)amino)benzoic acid
CID 1299802
2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic Acid
CID 2325693
4-Chloro-2-{[(2,4,5-Trichlorophenyl)sulfonyl]amino}benzoic Acid
CID 71300315

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid (CID 762841) is 3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid?
The InChIKey is CQEZSDZFELLDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4S/c14-9-4-5-11(15)12(7-9)21(19,20)16-10-3-1-2-8(6-10)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid?
3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid has a molecular weight of 346.19 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 762841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).