5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide

C9H12Cl2N2O2S — CID 64624786

IUPAC5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O2S/c1-6(2)4-13-16(14,15)7-3-8(10)9(11)12-5-7/h3,5-6,13H,4H2,1-2H3
InChIKeyAZJWUBDZMCRPKB-UHFFFAOYSA-N
MW283.18 g/mol
LogP2.32
Rot. Bonds4

About 5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide

5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide (PubChem CID 64624786) has the molecular formula C9H12Cl2N2O2S and a molecular weight of 283.18 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
PubChem CID64624786
Molecular FormulaC9H12Cl2N2O2S
Molecular Weight283.18 g/mol
Exact Mass282.00
IUPAC Name5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O2S/c1-6(2)4-13-16(14,15)7-3-8(10)9(11)12-5-7/h3,5-6,13H,4H2,1-2H3
InChIKeyAZJWUBDZMCRPKB-UHFFFAOYSA-N
XLogP2.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 64607088
6-amino-5-chloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64607743
2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 43456284
5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide
CID 64608604
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide
CID 64608367
5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 64608986
5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79362839
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 64623963
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
CID 115692267

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide (CID 64624786) is 5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide is CC(C)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide?
The InChIKey is AZJWUBDZMCRPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2S/c1-6(2)4-13-16(14,15)7-3-8(10)9(11)12-5-7/h3,5-6,13H,4H2,1-2H3.
What are the key properties of 5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide?
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide has a molecular weight of 283.18 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64624786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).