N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide

C9H11FN2O2S — CID 103300448

IUPACN-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide
SMILESC=CC(C)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H11FN2O2S/c1-3-7(2)12-15(13,14)9-8(10)5-4-6-11-9/h3-7,12H,1H2,2H3
InChIKeyJKGNWUOYTPEOAD-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.07
Rot. Bonds4

About N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide

N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide (PubChem CID 103300448) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide
PubChem CID103300448
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC NameN-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide
SMILESC=CC(C)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H11FN2O2S/c1-3-7(2)12-15(13,14)9-8(10)5-4-6-11-9/h3-7,12H,1H2,2H3
InChIKeyJKGNWUOYTPEOAD-UHFFFAOYSA-N
XLogP1.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103308397
N-(1-cyclopropylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103300114
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
3-fluoro-N-(4-hydroxybutan-2-yl)pyridine-2-sulfonamide
CID 103300372
N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide
CID 103299907
5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
CID 103298911
3-fluoro-N',N'-dimethylpyridine-2-sulfonohydrazide
CID 103300356
3-fluoro-N-octan-2-ylpyridine-2-sulfonamide
CID 103299597
3-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)pyridine-2-sulfonamide
CID 106184850
3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide
CID 103300164
3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid
CID 103298907
N-(2-amino-1-cyclopentylethyl)-3-fluoropyridine-2-sulfonamide
CID 106737928

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide (CID 103300448) is N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide is C=CC(C)NS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide?
The InChIKey is JKGNWUOYTPEOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c1-3-7(2)12-15(13,14)9-8(10)5-4-6-11-9/h3-7,12H,1H2,2H3.
What are the key properties of N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide?
N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide has a molecular weight of 230.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103300448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).