4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid

C13H9Cl2NO4S — CID 776763

IUPAC4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C13H9Cl2NO4S/c14-9-3-6-11(15)12(7-9)21(19,20)16-10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18)
InChIKeyOPLDPGZGIUEIMK-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.49
Rot. Bonds4

About 4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid

4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid (PubChem CID 776763) has the molecular formula C13H9Cl2NO4S and a molecular weight of 346.19 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
PubChem CID776763
Molecular FormulaC13H9Cl2NO4S
Molecular Weight346.19 g/mol
Exact Mass344.96
IUPAC Name4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C13H9Cl2NO4S/c14-9-3-6-11(15)12(7-9)21(19,20)16-10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18)
InChIKeyOPLDPGZGIUEIMK-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

4-[2-[3-[(2,5-dichlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688791
4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 25335042
propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2842703
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxypropyl)benzamide
CID 78803253
4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide
CID 39584361
5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 2330006
5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 78838843
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55376093
2-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 4075586
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 78798212
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid (CID 776763) is 4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid?
The InChIKey is OPLDPGZGIUEIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4S/c14-9-3-6-11(15)12(7-9)21(19,20)16-10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid?
4-[(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 4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 776763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).