N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide

C9H12BrFN2O2S — CID 103308428

IUPACN-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
SMILESCCC(Br)CNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H12BrFN2O2S/c1-2-7(10)6-13-16(14,15)9-8(11)4-3-5-12-9/h3-5,7,13H,2,6H2,1H3
InChIKeyPOCUJPCIGOZNCI-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.67
Rot. Bonds5

About N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide

N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103308428) has the molecular formula C9H12BrFN2O2S and a molecular weight of 311.18 g/mol. Its IUPAC name is N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
PubChem CID103308428
Molecular FormulaC9H12BrFN2O2S
Molecular Weight311.18 g/mol
Exact Mass309.98
IUPAC NameN-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
SMILESCCC(Br)CNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H12BrFN2O2S/c1-2-7(10)6-13-16(14,15)9-8(11)4-3-5-12-9/h3-5,7,13H,2,6H2,1H3
InChIKeyPOCUJPCIGOZNCI-UHFFFAOYSA-N
XLogP1.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide
CID 103300164
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 103298831
N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide
CID 107158974
N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268
N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103308397
N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175137
ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate
CID 103299284
N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide
CID 114115952
N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103308364
N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072

Frequently Asked Questions

What is the IUPAC name of N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide (CID 103308428) is N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide is CCC(Br)CNS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is POCUJPCIGOZNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2O2S/c1-2-7(10)6-13-16(14,15)9-8(11)4-3-5-12-9/h3-5,7,13H,2,6H2,1H3.
What are the key properties of N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide?
N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 311.18 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103308428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).