2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid

C9H9Cl2NO4S — CID 886433

IUPAC2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid
SMILESCN(C)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO4S/c1-12(2)17(15,16)8-3-5(9(13)14)6(10)4-7(8)11/h3-4H,1-2H3,(H,13,14)
InChIKeyBWISMTLOBZXEIC-UHFFFAOYSA-N
MW298.15 g/mol
LogP1.94
Rot. Bonds3

About 2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid

2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid (PubChem CID 886433) has the molecular formula C9H9Cl2NO4S and a molecular weight of 298.15 g/mol. Its IUPAC name is 2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid
PubChem CID886433
Molecular FormulaC9H9Cl2NO4S
Molecular Weight298.15 g/mol
Exact Mass296.96
IUPAC Name2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid
SMILESCN(C)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO4S/c1-12(2)17(15,16)8-3-5(9(13)14)6(10)4-7(8)11/h3-4H,1-2H3,(H,13,14)
InChIKeyBWISMTLOBZXEIC-UHFFFAOYSA-N
XLogP1.94
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-5-(dimethylsulfamoyl)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

Related Compounds

5-(Aminosulfonyl)-2,4-dichlorobenzoic acid
CID 17655
2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid
CID 767893
4-Chloro-3-sulfamoylbenzoic acid
CID 14568
4-Chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
4-Chloro-3-(pyrrolidine-1-sulfonyl)benzoic acid
CID 1070198
Benzoic acid, 2-chloro-5-(chlorosulfonyl)-
CID 67306
rel-2-Chloro-5-(((3R,5S)-3,5-dimethyl-1-piperidinyl)sulfonyl)benzoic acid
CID 32335
Methyl 2,4-dichloro-5-(pyrrolidin-1-ylsulfonyl)benzoate
CID 767113
2,4-Dichloro-5-isobutylsulfamoyl-benzoic acid
CID 877955
2,4-Dichloro-5-(diethylsulfamoyl)benzoic acid
CID 767908
2-Chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2,4-Dichloro-5-sulfamoylbenzoate
CID 3092240

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid (CID 886433) is 2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid is CN(C)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid?
The InChIKey is BWISMTLOBZXEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO4S/c1-12(2)17(15,16)8-3-5(9(13)14)6(10)4-7(8)11/h3-4H,1-2H3,(H,13,14).
What are the key properties of 2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid?
2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid has a molecular weight of 298.15 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(dimethylsulfamoyl)benzoic acid is sourced from PubChem (CID 886433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).