N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide

C28H33FN2O2S — CID 20978969

IUPACN-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
SMILESO=S(=O)(NCCC(CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C28H33FN2O2S/c29-27-13-11-24(12-14-27)25(15-19-30-34(32,33)28-9-5-2-6-10-28)16-20-31-21-17-26(18-22-31)23-7-3-1-4-8-23/h1-14,25-26,30H,15-22H2
InChIKeyCWKGNZHIRXUKEZ-UHFFFAOYSA-N
MW480.65 g/mol
LogP5.55
Rot. Bonds10

About N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide

N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide (PubChem CID 20978969) has the molecular formula C28H33FN2O2S and a molecular weight of 480.65 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
PubChem CID20978969
Molecular FormulaC28H33FN2O2S
Molecular Weight480.65 g/mol
Exact Mass480.22
IUPAC NameN-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
SMILESO=S(=O)(NCCC(CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C28H33FN2O2S/c29-27-13-11-24(12-14-27)25(15-19-30-34(32,33)28-9-5-2-6-10-28)16-20-31-21-17-26(18-22-31)23-7-3-1-4-8-23/h1-14,25-26,30H,15-22H2
InChIKeyCWKGNZHIRXUKEZ-UHFFFAOYSA-N
XLogP5.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
CID 20978976
N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
CID 20978974
N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 168832226
N-[2-(4-fluoro-3-methylphenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 23285339
N-[3-(3-chlorophenyl)-5-[4-(phenylmethoxymethyl)piperidin-1-yl]pentyl]benzenesulfonamide
CID 20978929
1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 126443325
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
N-[3-[1-[3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049081
N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide
CID 141081664
N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 70263958
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide
CID 129279668

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide?
The IUPAC name of N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide (CID 20978969) is N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide is O=S(=O)(NCCC(CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide?
The InChIKey is CWKGNZHIRXUKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN2O2S/c29-27-13-11-24(12-14-27)25(15-19-30-34(32,33)28-9-5-2-6-10-28)16-20-31-21-17-26(18-22-31)23-7-3-1-4-8-23/h1-14,25-26,30H,15-22H2.
What are the key properties of N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide?
N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide has a molecular weight of 480.65 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide is sourced from PubChem (CID 20978969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).