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

C12H16Cl2N2O3S — CID 103743716

IUPAC5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
SMILESCOC1CC(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)C1(C)C
InChIInChI=1S/C12H16Cl2N2O3S/c1-12(2)9(5-10(12)19-3)16-20(17,18)7-4-8(13)11(14)15-6-7/h4,6,9-10,16H,5H2,1-3H3
InChIKeyRPNLTEOBOLIQDF-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.48
Rot. Bonds4

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

5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide (PubChem CID 103743716) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
PubChem CID103743716
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
SMILESCOC1CC(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)C1(C)C
InChIInChI=1S/C12H16Cl2N2O3S/c1-12(2)9(5-10(12)19-3)16-20(17,18)7-4-8(13)11(14)15-6-7/h4,6,9-10,16H,5H2,1-3H3
InChIKeyRPNLTEOBOLIQDF-UHFFFAOYSA-N
XLogP2.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.48
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

5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide
CID 79871007
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 104600117
5,6-dichloro-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64908038
5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79362839
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
CID 114629375
5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 103743726
5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide
CID 64608618
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 115767149
5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 64669013
5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 103743706
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide (CID 103743716) is 5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide is COC1CC(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)C1(C)C.
What is the InChIKey of 5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide?
The InChIKey is RPNLTEOBOLIQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-12(2)9(5-10(12)19-3)16-20(17,18)7-4-8(13)11(14)15-6-7/h4,6,9-10,16H,5H2,1-3H3.
What are the key properties of 5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide?
5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide has a molecular weight of 339.24 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 103743716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).