3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid

C8H9ClN2O4S — CID 43361748

IUPAC3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1cccnc1Cl
InChIInChI=1S/C8H9ClN2O4S/c9-8-6(2-1-4-10-8)11-16(14,15)5-3-7(12)13/h1-2,4,11H,3,5H2,(H,12,13)
InChIKeyIQTFCMIIWYAVHW-UHFFFAOYSA-N
MW264.69 g/mol
LogP0.95
Rot. Bonds5

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

3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid (PubChem CID 43361748) has the molecular formula C8H9ClN2O4S and a molecular weight of 264.69 g/mol. Its IUPAC name is 3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid
PubChem CID43361748
Molecular FormulaC8H9ClN2O4S
Molecular Weight264.69 g/mol
Exact Mass264.00
IUPAC Name3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1cccnc1Cl
InChIInChI=1S/C8H9ClN2O4S/c9-8-6(2-1-4-10-8)11-16(14,15)5-3-7(12)13/h1-2,4,11H,3,5H2,(H,12,13)
InChIKeyIQTFCMIIWYAVHW-UHFFFAOYSA-N
XLogP0.95
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 50.95
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

N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide
CID 114052143
N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103943751
3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid
CID 28969153
4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid
CID 43710941
3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid
CID 43699684
3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid
CID 43361847
1-(4-aminophenyl)-N-(2-chloro-3-pyridinyl)methanesulfonamide
CID 61109056
3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
CID 63327614
3-[(2-ethylsulfanylphenyl)sulfamoyl]propanoic acid
CID 60933758
2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
CID 103710289
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43361749
3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740639

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid (CID 43361748) is 3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)Nc1cccnc1Cl.
What is the InChIKey of 3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid?
The InChIKey is IQTFCMIIWYAVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4S/c9-8-6(2-1-4-10-8)11-16(14,15)5-3-7(12)13/h1-2,4,11H,3,5H2,(H,12,13).
What are the key properties of 3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid?
3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid has a molecular weight of 264.69 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43361748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).