N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide

C8H10BrFN2O2S — CID 80669199

IUPACN-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide
SMILESCN(CCBr)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C8H10BrFN2O2S/c1-12(3-2-9)15(13,14)8-4-7(10)5-11-6-8/h4-6H,2-3H2,1H3
InChIKeyCCFZUQAFNMNLMC-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.24
Rot. Bonds4

About N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide

N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide (PubChem CID 80669199) has the molecular formula C8H10BrFN2O2S and a molecular weight of 297.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide
PubChem CID80669199
Molecular FormulaC8H10BrFN2O2S
Molecular Weight297.15 g/mol
Exact Mass295.96
IUPAC NameN-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide
SMILESCN(CCBr)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C8H10BrFN2O2S/c1-12(3-2-9)15(13,14)8-4-7(10)5-11-6-8/h4-6H,2-3H2,1H3
InChIKeyCCFZUQAFNMNLMC-UHFFFAOYSA-N
XLogP1.24
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide (CID 80669199) is N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide is CN(CCBr)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide?
The InChIKey is CCFZUQAFNMNLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2O2S/c1-12(3-2-9)15(13,14)8-4-7(10)5-11-6-8/h4-6H,2-3H2,1H3.
What are the key properties of N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide?
N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide has a molecular weight of 297.15 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 80669199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).