6-bromo-N-tert-butylpyridine-2-sulfonamide

C9H13BrN2O2S — CID 87463718

IUPAC6-bromo-N-tert-butylpyridine-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(Br)n1
InChIInChI=1S/C9H13BrN2O2S/c1-9(2,3)12-15(13,14)8-6-4-5-7(10)11-8/h4-6,12H,1-3H3
InChIKeyCJVNXDMKGPWXLD-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.92
Rot. Bonds2

About 6-bromo-N-tert-butylpyridine-2-sulfonamide

6-bromo-N-tert-butylpyridine-2-sulfonamide (PubChem CID 87463718) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is 6-bromo-N-tert-butylpyridine-2-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-tert-butylpyridine-2-sulfonamide
PubChem CID87463718
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC Name6-bromo-N-tert-butylpyridine-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(Br)n1
InChIInChI=1S/C9H13BrN2O2S/c1-9(2,3)12-15(13,14)8-6-4-5-7(10)11-8/h4-6,12H,1-3H3
InChIKeyCJVNXDMKGPWXLD-UHFFFAOYSA-N
XLogP1.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-N-tert-butylpyridine-2-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

3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide
CID 171548942
N-tert-butyl-2,6-dichlorobenzenesulfonamide
CID 3331531
N-[(1R)-1-(6-bromo-2-pyridinyl)-2,2-dimethylpropyl]-4-methylbenzenesulfonamide
CID 101389491
N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide
CID 13372366
N-tert-butyl-2,3-difluorobenzenesulfonamide
CID 167068212
2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine
CID 97178191
3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide
CID 106545074
1-[(6-bromo-2-pyridinyl)methylsulfonyl]-2-methylpropan-2-ol
CID 59525584
2-bromo-N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 149491378
2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 115938117
3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide
CID 53221898
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-tert-butylpyridine-2-sulfonamide?
The IUPAC name of 6-bromo-N-tert-butylpyridine-2-sulfonamide (CID 87463718) is 6-bromo-N-tert-butylpyridine-2-sulfonamide.
What is the SMILES notation for 6-bromo-N-tert-butylpyridine-2-sulfonamide?
The canonical SMILES for 6-bromo-N-tert-butylpyridine-2-sulfonamide is CC(C)(C)NS(=O)(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-tert-butylpyridine-2-sulfonamide?
The InChIKey is CJVNXDMKGPWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-9(2,3)12-15(13,14)8-6-4-5-7(10)11-8/h4-6,12H,1-3H3.
What are the key properties of 6-bromo-N-tert-butylpyridine-2-sulfonamide?
6-bromo-N-tert-butylpyridine-2-sulfonamide has a molecular weight of 293.19 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-tert-butylpyridine-2-sulfonamide is sourced from PubChem (CID 87463718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).