2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide

C15H19FN2O3S — CID 134004887

IUPAC2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C15H19FN2O3S/c1-2-8-17-22(20,21)14-11-12(6-7-13(14)16)15(19)18-9-4-3-5-10-18/h2,6-7,11,17H,1,3-5,8-10H2
InChIKeyQJFMEVGQFGMQTD-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.92
Rot. Bonds5

About 2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide

2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 134004887) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID134004887
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C15H19FN2O3S/c1-2-8-17-22(20,21)14-11-12(6-7-13(14)16)15(19)18-9-4-3-5-10-18/h2,6-7,11,17H,1,3-5,8-10H2
InChIKeyQJFMEVGQFGMQTD-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.92
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

2-fluoro-5-[3-(methanesulfonamido)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 55930964
2-fluoro-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 55919329
5-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 56548003
5-[4-(1-cyano-2-methylpropyl)piperazine-1-carbonyl]-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 56586271
5-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 55595841
5-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 55913569
4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47162107
2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 55581588
2-fluoro-5-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 55911985
2-fluoro-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 134004891
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-fluoro-3-(prop-2-enylsulfamoyl)benzoate
CID 55601624
5-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2-chloro-N-prop-2-enylbenzenesulfonamide
CID 9295319

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide (CID 134004887) is 2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is QJFMEVGQFGMQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c1-2-8-17-22(20,21)14-11-12(6-7-13(14)16)15(19)18-9-4-3-5-10-18/h2,6-7,11,17H,1,3-5,8-10H2.
What are the key properties of 2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 326.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 134004887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).