2-chloro-5-(dimethylaminosulfamoyl)benzoic acid

C9H11ClN2O4S — CID 83004774

IUPAC2-chloro-5-(dimethylaminosulfamoyl)benzoic acid
SMILESCN(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C9H11ClN2O4S/c1-12(2)11-17(15,16)6-3-4-8(10)7(5-6)9(13)14/h3-5,11H,1-2H3,(H,13,14)
InChIKeyGISWWRLLNCHUJG-UHFFFAOYSA-N
MW278.72 g/mol
LogP0.79
Rot. Bonds4

About 2-chloro-5-(dimethylaminosulfamoyl)benzoic acid

2-chloro-5-(dimethylaminosulfamoyl)benzoic acid (PubChem CID 83004774) has the molecular formula C9H11ClN2O4S and a molecular weight of 278.72 g/mol. Its IUPAC name is 2-chloro-5-(dimethylaminosulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(dimethylaminosulfamoyl)benzoic acid
PubChem CID83004774
Molecular FormulaC9H11ClN2O4S
Molecular Weight278.72 g/mol
Exact Mass278.01
IUPAC Name2-chloro-5-(dimethylaminosulfamoyl)benzoic acid
SMILESCN(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C9H11ClN2O4S/c1-12(2)11-17(15,16)6-3-4-8(10)7(5-6)9(13)14/h3-5,11H,1-2H3,(H,13,14)
InChIKeyGISWWRLLNCHUJG-UHFFFAOYSA-N
XLogP0.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-5-(dimethylaminosulfamoyl)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-(dimethylaminosulfamoyl)-2-iodobenzoic acid
CID 103962667
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-chloro-5-(cyanosulfamoyl)benzoic acid
CID 79193576
2-chloro-5-[2-(methanesulfonamido)ethylsulfamoyl]benzoic acid
CID 43420743
2-chloro-5-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 60920912
2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214152
2-chloro-5-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615359
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051
2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82706672
2-chloro-5-(2-methylsulfanylethylsulfamoyl)benzoic acid
CID 43396102
2-chloro-5-[(4,5-dimethyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617545
2-chloro-5-(2,2-dimethoxyethylsulfamoyl)benzoic acid
CID 78907701

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylaminosulfamoyl)benzoic acid?
The IUPAC name of 2-chloro-5-(dimethylaminosulfamoyl)benzoic acid (CID 83004774) is 2-chloro-5-(dimethylaminosulfamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(dimethylaminosulfamoyl)benzoic acid?
The canonical SMILES for 2-chloro-5-(dimethylaminosulfamoyl)benzoic acid is CN(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-(dimethylaminosulfamoyl)benzoic acid?
The InChIKey is GISWWRLLNCHUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4S/c1-12(2)11-17(15,16)6-3-4-8(10)7(5-6)9(13)14/h3-5,11H,1-2H3,(H,13,14).
What are the key properties of 2-chloro-5-(dimethylaminosulfamoyl)benzoic acid?
2-chloro-5-(dimethylaminosulfamoyl)benzoic acid has a molecular weight of 278.72 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylaminosulfamoyl)benzoic acid is sourced from PubChem (CID 83004774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).