2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid

C11H9Cl2N3O4S — CID 63821892

IUPAC2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2Cl)n[nH]1
InChIInChI=1S/C11H9Cl2N3O4S/c1-5-4-8(15-14-5)16-21(19,20)7-3-2-6(12)9(10(7)13)11(17)18/h2-4H,1H3,(H,17,18)(H2,14,15,16)
InChIKeyDDLMKEQTZDFCNI-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.52
Rot. Bonds4

About 2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid

2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid (PubChem CID 63821892) has the molecular formula C11H9Cl2N3O4S and a molecular weight of 350.18 g/mol. Its IUPAC name is 2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
PubChem CID63821892
Molecular FormulaC11H9Cl2N3O4S
Molecular Weight350.18 g/mol
Exact Mass348.97
IUPAC Name2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2Cl)n[nH]1
InChIInChI=1S/C11H9Cl2N3O4S/c1-5-4-8(15-14-5)16-21(19,20)7-3-2-6(12)9(10(7)13)11(17)18/h2-4H,1H3,(H,17,18)(H2,14,15,16)
InChIKeyDDLMKEQTZDFCNI-UHFFFAOYSA-N
XLogP2.52
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]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

2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823361
3-(tert-butylsulfamoyl)-2,6-dichlorobenzoic acid
CID 16771513
2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 63822246
2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823168
4-bromo-2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 116527795
2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid
CID 43499058
2,6-dichloro-3-(pentan-3-ylsulfamoyl)benzoic acid
CID 29030781
3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid
CID 61218847
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 61066776
3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide
CID 163438596
4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 104617455

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid (CID 63821892) is 2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid is Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2Cl)n[nH]1.
What is the InChIKey of 2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The InChIKey is DDLMKEQTZDFCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O4S/c1-5-4-8(15-14-5)16-21(19,20)7-3-2-6(12)9(10(7)13)11(17)18/h2-4H,1H3,(H,17,18)(H2,14,15,16).
What are the key properties of 2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid has a molecular weight of 350.18 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 63821892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).