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

C12H18Cl2N2O3S — CID 64608604

IUPAC5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide
SMILESCC(C)CCOCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2O3S/c1-9(2)3-5-19-6-4-16-20(17,18)10-7-11(13)12(14)15-8-10/h7-9,16H,3-6H2,1-2H3
InChIKeyISRSCRWRJPMGHB-UHFFFAOYSA-N
MW341.26 g/mol
LogP2.73
Rot. Bonds8

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

5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide (PubChem CID 64608604) has the molecular formula C12H18Cl2N2O3S and a molecular weight of 341.26 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide
PubChem CID64608604
Molecular FormulaC12H18Cl2N2O3S
Molecular Weight341.26 g/mol
Exact Mass340.04
IUPAC Name5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide
SMILESCC(C)CCOCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2O3S/c1-9(2)3-5-19-6-4-16-20(17,18)10-7-11(13)12(14)15-8-10/h7-9,16H,3-6H2,1-2H3
InChIKeyISRSCRWRJPMGHB-UHFFFAOYSA-N
XLogP2.73
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
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

N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide
CID 113339035
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 64608986
5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide
CID 64608367
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 64607272
5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115641392
5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 64607088
5-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64608939
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide (CID 64608604) is 5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide is CC(C)CCOCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide?
The InChIKey is ISRSCRWRJPMGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O3S/c1-9(2)3-5-19-6-4-16-20(17,18)10-7-11(13)12(14)15-8-10/h7-9,16H,3-6H2,1-2H3.
What are the key properties of 5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide has a molecular weight of 341.26 g/mol, XLogP of 2.73, 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-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64608604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).