1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide

C6H6BrFN2O2S — CID 107595287

IUPAC1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1ccncc1F
InChIInChI=1S/C6H6BrFN2O2S/c7-4-13(11,12)10-6-1-2-9-3-5(6)8/h1-3H,4H2,(H,9,10)
InChIKeyPOCFYCWPLNOPSI-UHFFFAOYSA-N
MW269.09 g/mol
LogP1.31
Rot. Bonds3

About 1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide

1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide (PubChem CID 107595287) has the molecular formula C6H6BrFN2O2S and a molecular weight of 269.09 g/mol. Its IUPAC name is 1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide
PubChem CID107595287
Molecular FormulaC6H6BrFN2O2S
Molecular Weight269.09 g/mol
Exact Mass267.93
IUPAC Name1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1ccncc1F
InChIInChI=1S/C6H6BrFN2O2S/c7-4-13(11,12)10-6-1-2-9-3-5(6)8/h1-3H,4H2,(H,9,10)
InChIKeyPOCFYCWPLNOPSI-UHFFFAOYSA-N
XLogP1.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 51.31
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-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 107595222
1-bromo-N-isoquinolin-8-ylmethanesulfonamide
CID 83085582
1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107594674
1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595131
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
5-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-sulfonamide
CID 103943788
N-(3-fluoro-4-pyridinyl)-4-hydroxybenzenesulfonamide
CID 107595237
4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107594699
N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 107595249
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625
N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 103862773

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide (CID 107595287) is 1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide is O=S(=O)(CBr)Nc1ccncc1F.
What is the InChIKey of 1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide?
The InChIKey is POCFYCWPLNOPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2O2S/c7-4-13(11,12)10-6-1-2-9-3-5(6)8/h1-3H,4H2,(H,9,10).
What are the key properties of 1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide?
1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide has a molecular weight of 269.09 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide is sourced from PubChem (CID 107595287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).