N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide

C19H23FN2O2S — CID 55922553

IUPACN-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(c1cccc(F)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H23FN2O2S/c1-15(16-6-5-7-17(20)14-16)22-12-10-18(11-13-22)21-25(23,24)19-8-3-2-4-9-19/h2-9,14-15,18,21H,10-13H2,1H3
InChIKeyRBBSGKJNXKGIKW-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.33
Rot. Bonds5

About N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide

N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 55922553) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID55922553
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC NameN-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(c1cccc(F)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H23FN2O2S/c1-15(16-6-5-7-17(20)14-16)22-12-10-18(11-13-22)21-25(23,24)19-8-3-2-4-9-19/h2-9,14-15,18,21H,10-13H2,1H3
InChIKeyRBBSGKJNXKGIKW-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 87015324
N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine
CID 81493286
(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-phenylacetamide
CID 37222509
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid
CID 119921741
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide
CID 55498685
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide
CID 55482564
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 51966767
(2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 40811536
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide (CID 55922553) is N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide is CC(c1cccc(F)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is RBBSGKJNXKGIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-15(16-6-5-7-17(20)14-16)22-12-10-18(11-13-22)21-25(23,24)19-8-3-2-4-9-19/h2-9,14-15,18,21H,10-13H2,1H3.
What are the key properties of N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 362.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 55922553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).