N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide

C13H19FN2O2S — CID 60806933

IUPACN-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-2-16(12-6-8-15-9-7-12)19(17,18)13-5-3-4-11(14)10-13/h3-5,10,12,15H,2,6-9H2,1H3
InChIKeyWRYRKZYJAGALSK-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.59
Rot. Bonds4

About N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide

N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 60806933) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
PubChem CID60806933
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-2-16(12-6-8-15-9-7-12)19(17,18)13-5-3-4-11(14)10-13/h3-5,10,12,15H,2,6-9H2,1H3
InChIKeyWRYRKZYJAGALSK-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
CID 60799639
N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806262
3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791269
2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 60805252
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599551
N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide
CID 60806594
N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 43136997
3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994136
3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide
CID 70645897

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide (CID 60806933) is N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide is CCN(C1CCNCC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is WRYRKZYJAGALSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-2-16(12-6-8-15-9-7-12)19(17,18)13-5-3-4-11(14)10-13/h3-5,10,12,15H,2,6-9H2,1H3.
What are the key properties of N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide?
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 60806933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).