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

C10H14Cl2N2O2S — CID 64606874

IUPAC5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
SMILESCC(C)(C)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-10(2,3)6-14-17(15,16)7-4-8(11)9(12)13-5-7/h4-5,14H,6H2,1-3H3
InChIKeyXZFZQDWWJKSCRD-UHFFFAOYSA-N
MW297.21 g/mol
LogP2.71
Rot. Bonds3

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

5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide (PubChem CID 64606874) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
PubChem CID64606874
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
SMILESCC(C)(C)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-10(2,3)6-14-17(15,16)7-4-8(11)9(12)13-5-7/h4-5,14H,6H2,1-3H3
InChIKeyXZFZQDWWJKSCRD-UHFFFAOYSA-N
XLogP2.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 52.71
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-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65106876
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64624600
N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide
CID 115641375
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79362839
5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 64623963
5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 113239619
5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 64607088
5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115641392
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide (CID 64606874) is 5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide is CC(C)(C)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide?
The InChIKey is XZFZQDWWJKSCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-10(2,3)6-14-17(15,16)7-4-8(11)9(12)13-5-7/h4-5,14H,6H2,1-3H3.
What are the key properties of 5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide?
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide has a molecular weight of 297.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64606874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).