N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide

C9H12BrFN2O2S — CID 103308364

IUPACN-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
SMILESCC(C)(CBr)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H12BrFN2O2S/c1-9(2,6-10)13-16(14,15)8-7(11)4-3-5-12-8/h3-5,13H,6H2,1-2H3
InChIKeyYSKUIXZYOFMOJV-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.67
Rot. Bonds4

About N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide

N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103308364) has the molecular formula C9H12BrFN2O2S and a molecular weight of 311.18 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
PubChem CID103308364
Molecular FormulaC9H12BrFN2O2S
Molecular Weight311.18 g/mol
Exact Mass309.98
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
SMILESCC(C)(CBr)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H12BrFN2O2S/c1-9(2,6-10)13-16(14,15)8-7(11)4-3-5-12-8/h3-5,13H,6H2,1-2H3
InChIKeyYSKUIXZYOFMOJV-UHFFFAOYSA-N
XLogP1.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103300602
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103308397
N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
CID 103308428
3-fluoro-N',N'-dimethylpyridine-2-sulfonohydrazide
CID 103300356
3-[(3-fluoro-2-pyridinyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 114167235
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoropyridine-2-sulfonamide
CID 107233950
3-fluoro-N-(2-methylcyclopropyl)pyridine-2-sulfonamide
CID 103300003
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299092
N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide
CID 107158974
3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid
CID 103298907

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide (CID 103308364) is N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide is CC(C)(CBr)NS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is YSKUIXZYOFMOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2O2S/c1-9(2,6-10)13-16(14,15)8-7(11)4-3-5-12-8/h3-5,13H,6H2,1-2H3.
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide?
N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 311.18 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103308364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).