5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide

C13H18Cl2N2O2S — CID 79362839

IUPAC5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
SMILESCC1(C)C(CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)C1(C)C
InChIInChI=1S/C13H18Cl2N2O2S/c1-12(2)10(13(12,3)4)7-17-20(18,19)8-5-9(14)11(15)16-6-8/h5-6,10,17H,7H2,1-4H3
InChIKeyHZLVQNVSSKFOOZ-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.35
Rot. Bonds4

About 5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide

5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide (PubChem CID 79362839) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
PubChem CID79362839
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
SMILESCC1(C)C(CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)C1(C)C
InChIInChI=1S/C13H18Cl2N2O2S/c1-12(2)10(13(12,3)4)7-17-20(18,19)8-5-9(14)11(15)16-6-8/h5-6,10,17H,7H2,1-4H3
InChIKeyHZLVQNVSSKFOOZ-UHFFFAOYSA-N
XLogP3.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.35
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-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 64911363
2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide
CID 79359680
5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115641392
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
CID 110309462
5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 64623963
5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65106876
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
CID 64608025

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide (CID 79362839) is 5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide is CC1(C)C(CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)C1(C)C.
What is the InChIKey of 5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide?
The InChIKey is HZLVQNVSSKFOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-12(2)10(13(12,3)4)7-17-20(18,19)8-5-9(14)11(15)16-6-8/h5-6,10,17H,7H2,1-4H3.
What are the key properties of 5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide has a molecular weight of 337.27 g/mol, XLogP of 3.35, 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-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 79362839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).