3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid

C9H10Cl2N2O4S — CID 114051258

IUPAC3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
SMILESCc1cc(Cl)nc(Cl)c1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H10Cl2N2O4S/c1-5-4-6(10)12-9(11)8(5)13-18(16,17)3-2-7(14)15/h4,13H,2-3H2,1H3,(H,14,15)
InChIKeyQGBZPHJTQIYILP-UHFFFAOYSA-N
MW313.16 g/mol
LogP1.91
Rot. Bonds5

About 3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid

3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid (PubChem CID 114051258) has the molecular formula C9H10Cl2N2O4S and a molecular weight of 313.16 g/mol. Its IUPAC name is 3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
PubChem CID114051258
Molecular FormulaC9H10Cl2N2O4S
Molecular Weight313.16 g/mol
Exact Mass311.97
IUPAC Name3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
SMILESCc1cc(Cl)nc(Cl)c1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H10Cl2N2O4S/c1-5-4-6(10)12-9(11)8(5)13-18(16,17)3-2-7(14)15/h4,13H,2-3H2,1H3,(H,14,15)
InChIKeyQGBZPHJTQIYILP-UHFFFAOYSA-N
XLogP1.91
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic 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

N-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide
CID 162396778
N-(2,6-dichloro-4-methyl-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 108190786
3-[(2-Chloro-3-pyridinyl)sulfamoyl]propanoic acid
CID 43361748
2-[(2-Chloro-3-pyridinyl)sulfamoyl]propanoic acid
CID 61454578
3-[(4-Methyl-3-pyridinyl)sulfamoyl]propanoic acid
CID 63327614
2-[(4-Methyl-3-pyridinyl)sulfamoyl]propanoic acid
CID 63327654
3-[(2-Chloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
CID 65489083
4-[(2-Chloro-4-methyl-3-pyridinyl)sulfamoyl]butanoic acid
CID 65489672
Methyl 4-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]butanoate
CID 65491659
2-[(2-Chloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
CID 65491661
2-[(2-Chloro-4-methyl-3-pyridinyl)sulfamoyl]acetic acid
CID 65491856
3-[(2-Chloro-4-methyl-3-pyridinyl)sulfamoyl-methylamino]propanoic acid
CID 65685603

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid (CID 114051258) is 3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid is Cc1cc(Cl)nc(Cl)c1NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid?
The InChIKey is QGBZPHJTQIYILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O4S/c1-5-4-6(10)12-9(11)8(5)13-18(16,17)3-2-7(14)15/h4,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid?
3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid has a molecular weight of 313.16 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 114051258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).