4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid

C9H10Cl2N2O4S — CID 64608025

IUPAC4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O4S/c10-7-4-6(5-12-9(7)11)18(16,17)13-3-1-2-8(14)15/h4-5,13H,1-3H2,(H,14,15)
InChIKeyNFNQCHPZHUJJFR-UHFFFAOYSA-N
MW313.16 g/mol
LogP1.53
Rot. Bonds6

About 4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid

4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid (PubChem CID 64608025) has the molecular formula C9H10Cl2N2O4S and a molecular weight of 313.16 g/mol. Its IUPAC name is 4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
PubChem CID64608025
Molecular FormulaC9H10Cl2N2O4S
Molecular Weight313.16 g/mol
Exact Mass311.97
IUPAC Name4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O4S/c10-7-4-6(5-12-9(7)11)18(16,17)13-3-1-2-8(14)15/h4-5,13H,1-3H2,(H,14,15)
InChIKeyNFNQCHPZHUJJFR-UHFFFAOYSA-N
XLogP1.53
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
CID 110309462
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115641392
3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 64608415
N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide
CID 115641375
5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 64608986
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 62033065
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid?
The IUPAC name of 4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid (CID 64608025) is 4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid is O=C(O)CCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid?
The InChIKey is NFNQCHPZHUJJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O4S/c10-7-4-6(5-12-9(7)11)18(16,17)13-3-1-2-8(14)15/h4-5,13H,1-3H2,(H,14,15).
What are the key properties of 4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid?
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid has a molecular weight of 313.16 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 64608025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).