4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide

C13H19FN2O3S — CID 63870153

IUPAC4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3S/c14-11-1-3-13(4-2-11)20(17,18)16-9-10-19-12-5-7-15-8-6-12/h1-4,12,15-16H,5-10H2
InChIKeyQNBGRTOIRPJRRV-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.87
Rot. Bonds6

About 4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide

4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide (PubChem CID 63870153) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
PubChem CID63870153
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3S/c14-11-1-3-13(4-2-11)20(17,18)16-9-10-19-12-5-7-15-8-6-12/h1-4,12,15-16H,5-10H2
InChIKeyQNBGRTOIRPJRRV-UHFFFAOYSA-N
XLogP0.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 63871314
3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63870489
2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63871828
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61061043
1-phenyl-N-(2-piperidin-4-yloxyethyl)methanesulfonamide
CID 63871482
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 55251922
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide
CID 63870833
3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide
CID 63827191
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 61248662
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide (CID 63870153) is 4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide is O=S(=O)(NCCOC1CCNCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide?
The InChIKey is QNBGRTOIRPJRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c14-11-1-3-13(4-2-11)20(17,18)16-9-10-19-12-5-7-15-8-6-12/h1-4,12,15-16H,5-10H2.
What are the key properties of 4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide?
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide has a molecular weight of 302.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 63870153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).