5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide

C12H18Cl2N2O2S — CID 64608400

IUPAC5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide
SMILESCC(N(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(C)(C)C
InChIInChI=1S/C12H18Cl2N2O2S/c1-8(12(2,3)4)16(5)19(17,18)9-6-10(13)11(14)15-7-9/h6-8H,1-5H3
InChIKeyGCAKJZUETYZLJI-UHFFFAOYSA-N
MW325.26 g/mol
LogP3.44
Rot. Bonds3

About 5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide

5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide (PubChem CID 64608400) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide
PubChem CID64608400
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide
SMILESCC(N(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(C)(C)C
InChIInChI=1S/C12H18Cl2N2O2S/c1-8(12(2,3)4)16(5)19(17,18)9-6-10(13)11(14)15-7-9/h6-8H,1-5H3
InChIKeyGCAKJZUETYZLJI-UHFFFAOYSA-N
XLogP3.44
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
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,N-bis(2-methylpropyl)pyridine-3-sulfonamide
CID 826892
5-amino-2-chloro-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 61113694
5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64601073
4-bromo-2,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylbenzenesulfonamide
CID 63420640
N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358
4-chloro-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 61046671
4-bromo-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylbenzenesulfonamide
CID 42955212
5,6-dichloropyridine-3-sulfonyl chloride
CID 4736911
5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide
CID 64607393
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62146399
(5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane
CID 167723258
5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 64608793

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide (CID 64608400) is 5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide is CC(N(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(C)(C)C.
What is the InChIKey of 5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide?
The InChIKey is GCAKJZUETYZLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S/c1-8(12(2,3)4)16(5)19(17,18)9-6-10(13)11(14)15-7-9/h6-8H,1-5H3.
What are the key properties of 5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide?
5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide has a molecular weight of 325.26 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 64608400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).