5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide

C10H9BrClN3O2S2 — CID 4730084

IUPAC5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2cnc(Cl)c(Br)c2)sc1C
InChIInChI=1S/C10H9BrClN3O2S2/c1-5-6(2)18-10(14-5)15-19(16,17)7-3-8(11)9(12)13-4-7/h3-4H,1-2H3,(H,14,15)
InChIKeyLMZLHDFWWUJRES-UHFFFAOYSA-N
MW382.69 g/mol
LogP3.37
Rot. Bonds3

About 5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide

5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 4730084) has the molecular formula C10H9BrClN3O2S2 and a molecular weight of 382.69 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
PubChem CID4730084
Molecular FormulaC10H9BrClN3O2S2
Molecular Weight382.69 g/mol
Exact Mass380.90
IUPAC Name5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2cnc(Cl)c(Br)c2)sc1C
InChIInChI=1S/C10H9BrClN3O2S2/c1-5-6(2)18-10(14-5)15-19(16,17)7-3-8(11)9(12)13-4-7/h3-4H,1-2H3,(H,14,15)
InChIKeyLMZLHDFWWUJRES-UHFFFAOYSA-N
XLogP3.37
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.69
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide
CID 64602862
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 60675416
5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide
CID 826872
5-bromo-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 4729984
2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 100742356
5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide
CID 4730144
5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide
CID 4729992
5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide
CID 4730121
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-bromo-6-chloropyridine-3-sulfonamide
CID 11656083
5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide
CID 86582215
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62152436
3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60675322

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide (CID 4730084) is 5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide is Cc1nc(NS(=O)(=O)c2cnc(Cl)c(Br)c2)sc1C.
What is the InChIKey of 5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is LMZLHDFWWUJRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O2S2/c1-5-6(2)18-10(14-5)15-19(16,17)7-3-8(11)9(12)13-4-7/h3-4H,1-2H3,(H,14,15).
What are the key properties of 5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 382.69 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 4730084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).