5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide

C12H19Cl2N3O2S — CID 103721200

IUPAC5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H19Cl2N3O2S/c1-3-6-17(4-2)7-5-16-20(18,19)10-8-11(13)12(14)15-9-10/h8-9,16H,3-7H2,1-2H3
InChIKeyUPNVNJWKLGUFSP-UHFFFAOYSA-N
MW340.28 g/mol
LogP2.40
Rot. Bonds8

About 5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide

5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide (PubChem CID 103721200) has the molecular formula C12H19Cl2N3O2S and a molecular weight of 340.28 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide
PubChem CID103721200
Molecular FormulaC12H19Cl2N3O2S
Molecular Weight340.28 g/mol
Exact Mass339.06
IUPAC Name5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H19Cl2N3O2S/c1-3-6-17(4-2)7-5-16-20(18,19)10-8-11(13)12(14)15-9-10/h8-9,16H,3-7H2,1-2H3
InChIKeyUPNVNJWKLGUFSP-UHFFFAOYSA-N
XLogP2.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
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-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
CID 114132607
5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 64607272
3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 64608415
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
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 8716582
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-carboxamide
CID 103719279
5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115641392
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide (CID 103721200) is 5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide is CCCN(CC)CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide?
The InChIKey is UPNVNJWKLGUFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3O2S/c1-3-6-17(4-2)7-5-16-20(18,19)10-8-11(13)12(14)15-9-10/h8-9,16H,3-7H2,1-2H3.
What are the key properties of 5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide has a molecular weight of 340.28 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 103721200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).