N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide

C11H16BrFN2O2S — CID 107206296

IUPACN-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide
SMILESCN(CCCCCBr)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H16BrFN2O2S/c1-15(6-4-2-3-5-12)18(16,17)11-7-10(13)8-14-9-11/h7-9H,2-6H2,1H3
InChIKeyJPJHWFTVDZCWLQ-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.41
Rot. Bonds7

About N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide

N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide (PubChem CID 107206296) has the molecular formula C11H16BrFN2O2S and a molecular weight of 339.23 g/mol. Its IUPAC name is N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide
PubChem CID107206296
Molecular FormulaC11H16BrFN2O2S
Molecular Weight339.23 g/mol
Exact Mass338.01
IUPAC NameN-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide
SMILESCN(CCCCCBr)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H16BrFN2O2S/c1-15(6-4-2-3-5-12)18(16,17)11-7-10(13)8-14-9-11/h7-9H,2-6H2,1H3
InChIKeyJPJHWFTVDZCWLQ-UHFFFAOYSA-N
XLogP2.41
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyridine-3-sulfonamide
CID 232710
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
5-Bromopyridine-3-sulfonamide
CID 12684258
5-Bromopyridine-3-sulphonic acid
CID 12684261
3-[(Pyrrolidin-1-yl)sulphonyl]pyridine
CID 13063498
5-Bromopyridine-3-sulfonyl chloride
CID 20324474
5-Bromo-N-tert-butylpyridine-3-sulfonamide
CID 61794951
6-Bromopyridine-3-sulfonamide
CID 11287838
N-Methyl-3-pyridinesulfonamide
CID 13032981
3-Fluoropyridine-2-sulfonamide
CID 19957930
5-Bromopyridine-3-sulphonyl chloride hydrochloride
CID 44119336
5-Fluoropyridine-3-sulfonyl chloride
CID 45792531

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide (CID 107206296) is N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide is CN(CCCCCBr)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide?
The InChIKey is JPJHWFTVDZCWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O2S/c1-15(6-4-2-3-5-12)18(16,17)11-7-10(13)8-14-9-11/h7-9H,2-6H2,1H3.
What are the key properties of N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide?
N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide has a molecular weight of 339.23 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 107206296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).