3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide

C11H15Cl2N3O3S — CID 64608415

IUPAC3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2N3O3S/c1-2-4-14-10(17)3-5-16-20(18,19)8-6-9(12)11(13)15-7-8/h6-7,16H,2-5H2,1H3,(H,14,17)
InChIKeyONRWWLUJAOOKAH-UHFFFAOYSA-N
MW340.23 g/mol
LogP1.58
Rot. Bonds7

About 3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide

3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide (PubChem CID 64608415) has the molecular formula C11H15Cl2N3O3S and a molecular weight of 340.23 g/mol. Its IUPAC name is 3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
PubChem CID64608415
Molecular FormulaC11H15Cl2N3O3S
Molecular Weight340.23 g/mol
Exact Mass339.02
IUPAC Name3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2N3O3S/c1-2-4-14-10(17)3-5-16-20(18,19)8-6-9(12)11(13)15-7-8/h6-7,16H,2-5H2,1H3,(H,14,17)
InChIKeyONRWWLUJAOOKAH-UHFFFAOYSA-N
XLogP1.58
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 51.58
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-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide
CID 115641375
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
CID 110309462
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
CID 64608025
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
CID 64601463
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide
CID 103721200
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide
CID 62152220

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide (CID 64608415) is 3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is ONRWWLUJAOOKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O3S/c1-2-4-14-10(17)3-5-16-20(18,19)8-6-9(12)11(13)15-7-8/h6-7,16H,2-5H2,1H3,(H,14,17).
What are the key properties of 3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide?
3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 340.23 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 64608415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).