3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid

C8H9ClN2O4S — CID 61249244

IUPAC3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C8H9ClN2O4S/c9-7-5-6(1-3-10-7)16(14,15)11-4-2-8(12)13/h1,3,5,11H,2,4H2,(H,12,13)
InChIKeyGVYCSJROLHVDKS-UHFFFAOYSA-N
MW264.69 g/mol
LogP0.49
Rot. Bonds5

About 3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid

3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid (PubChem CID 61249244) has the molecular formula C8H9ClN2O4S and a molecular weight of 264.69 g/mol. Its IUPAC name is 3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
PubChem CID61249244
Molecular FormulaC8H9ClN2O4S
Molecular Weight264.69 g/mol
Exact Mass264.00
IUPAC Name3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C8H9ClN2O4S/c9-7-5-6(1-3-10-7)16(14,15)11-4-2-8(12)13/h1,3,5,11H,2,4H2,(H,12,13)
InChIKeyGVYCSJROLHVDKS-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
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

2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
CID 106841570
3-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoic acid
CID 106605107
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide
CID 54895536
3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid
CID 697756
2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide
CID 62615784
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide
CID 54896019
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 114139001
2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
CID 114132607
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
CID 113405985
2-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-sulfonamide
CID 54895970

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid (CID 61249244) is 3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid is O=C(O)CCNS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid?
The InChIKey is GVYCSJROLHVDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4S/c9-7-5-6(1-3-10-7)16(14,15)11-4-2-8(12)13/h1,3,5,11H,2,4H2,(H,12,13).
What are the key properties of 3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid?
3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid has a molecular weight of 264.69 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 61249244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).