6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide

C9H13BrN2O2S — CID 82048417

IUPAC6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(Br)nc1
InChIInChI=1S/C9H13BrN2O2S/c1-7(2)5-12-15(13,14)8-3-4-9(10)11-6-8/h3-4,6-7,12H,5H2,1-2H3
InChIKeyAAYJRZBQFXOEAX-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.78
Rot. Bonds4

About 6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide

6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide (PubChem CID 82048417) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is 6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide
PubChem CID82048417
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC Name6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(Br)nc1
InChIInChI=1S/C9H13BrN2O2S/c1-7(2)5-12-15(13,14)8-3-4-9(10)11-6-8/h3-4,6-7,12H,5H2,1-2H3
InChIKeyAAYJRZBQFXOEAX-UHFFFAOYSA-N
XLogP1.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 43456284
6-bromo-N-prop-2-enylpyridine-3-sulfonamide
CID 82093746
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
6-amino-5-chloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64607743
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
[4-(2-methylpropylsulfamoyl)phenyl]boronic acid
CID 91666739
6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102903322
methyl 2-bromo-5-(2-methylpropylsulfamoyl)benzoate
CID 47131741
N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506735

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide (CID 82048417) is 6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide is CC(C)CNS(=O)(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide?
The InChIKey is AAYJRZBQFXOEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-7(2)5-12-15(13,14)8-3-4-9(10)11-6-8/h3-4,6-7,12H,5H2,1-2H3.
What are the key properties of 6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide?
6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide has a molecular weight of 293.19 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 82048417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).