2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid

C12H8Cl2N2O4S — CID 103710289

IUPAC2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccnc2Cl)cc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c13-9-6-7(3-4-8(9)12(17)18)21(19,20)16-10-2-1-5-15-11(10)14/h1-6,16H,(H,17,18)
InChIKeyYRICZJVIPYMYSC-UHFFFAOYSA-N
MW347.18 g/mol
LogP2.89
Rot. Bonds4

About 2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid

2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 103710289) has the molecular formula C12H8Cl2N2O4S and a molecular weight of 347.18 g/mol. Its IUPAC name is 2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
PubChem CID103710289
Molecular FormulaC12H8Cl2N2O4S
Molecular Weight347.18 g/mol
Exact Mass345.96
IUPAC Name2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccnc2Cl)cc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c13-9-6-7(3-4-8(9)12(17)18)21(19,20)16-10-2-1-5-15-11(10)14/h1-6,16H,(H,17,18)
InChIKeyYRICZJVIPYMYSC-UHFFFAOYSA-N
XLogP2.89
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid
CID 43237867
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43361749
2-chloro-4-(pyridin-4-ylsulfamoyl)benzoic acid
CID 107089863
2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 107090081
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43245095
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
CID 113221263
4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide
CID 4994113
N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 2169091
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 64607834
4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103709774
2-methyl-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 79042866

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid (CID 103710289) is 2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2cccnc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is YRICZJVIPYMYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O4S/c13-9-6-7(3-4-8(9)12(17)18)21(19,20)16-10-2-1-5-15-11(10)14/h1-6,16H,(H,17,18).
What are the key properties of 2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid?
2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid has a molecular weight of 347.18 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 103710289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).