5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide

C8H10BrClN2O2S — CID 826872

IUPAC5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C8H10BrClN2O2S/c1-5(2)12-15(13,14)6-3-7(9)8(10)11-4-6/h3-5,12H,1-2H3
InChIKeyOLOMHNWGSUSXFO-UHFFFAOYSA-N
MW313.60 g/mol
LogP2.18
Rot. Bonds3

About 5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide

5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 826872) has the molecular formula C8H10BrClN2O2S and a molecular weight of 313.60 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID826872
Molecular FormulaC8H10BrClN2O2S
Molecular Weight313.60 g/mol
Exact Mass311.93
IUPAC Name5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C8H10BrClN2O2S/c1-5(2)12-15(13,14)6-3-7(9)8(10)11-4-6/h3-5,12H,1-2H3
InChIKeyOLOMHNWGSUSXFO-UHFFFAOYSA-N
XLogP2.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.60
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-6-chloro-N-propan-2-ylpyridine-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-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide
CID 74224289
methyl 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanoate
CID 3863990
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
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'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide
CID 4730121
5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide
CID 4729992
5-bromo-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 4729984
5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide
CID 5009141
5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 4730084
5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide
CID 86582215
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
CID 115692267
2-amino-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62150881

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide (CID 826872) is 5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide is CC(C)NS(=O)(=O)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is OLOMHNWGSUSXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2O2S/c1-5(2)12-15(13,14)6-3-7(9)8(10)11-4-6/h3-5,12H,1-2H3.
What are the key properties of 5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide?
5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 313.60 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 826872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).