5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide

C12H18BrClN2O2S — CID 78966663

IUPAC5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Br)cnc1Cl)C(C)(C)C
InChIInChI=1S/C12H18BrClN2O2S/c1-8(12(2,3)4)6-16-19(17,18)10-5-9(13)7-15-11(10)14/h5,7-8,16H,6H2,1-4H3
InChIKeyVGAUCQIZOUFAIT-UHFFFAOYSA-N
MW369.71 g/mol
LogP3.46
Rot. Bonds4

About 5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide (PubChem CID 78966663) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
PubChem CID78966663
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC Name5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Br)cnc1Cl)C(C)(C)C
InChIInChI=1S/C12H18BrClN2O2S/c1-8(12(2,3)4)6-16-19(17,18)10-5-9(13)7-15-11(10)14/h5,7-8,16H,6H2,1-4H3
InChIKeyVGAUCQIZOUFAIT-UHFFFAOYSA-N
XLogP3.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 62693299
5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65035841
5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 61072361
5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 61301034
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 115604204
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147534
5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147355
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 103698220
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide
CID 103526952

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide (CID 78966663) is 5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide is CC(CNS(=O)(=O)c1cc(Br)cnc1Cl)C(C)(C)C.
What is the InChIKey of 5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide?
The InChIKey is VGAUCQIZOUFAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2O2S/c1-8(12(2,3)4)6-16-19(17,18)10-5-9(13)7-15-11(10)14/h5,7-8,16H,6H2,1-4H3.
What are the key properties of 5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide has a molecular weight of 369.71 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 78966663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).