N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide

C21H25FN2O3S — CID 53103748

IUPACN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide
SMILESO=C(c1ccc(F)cc1)N1CCC(CCNS(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN2O3S/c22-20-8-6-19(7-9-20)21(25)24-14-11-17(12-15-24)10-13-23-28(26,27)16-18-4-2-1-3-5-18/h1-9,17,23H,10-16H2
InChIKeyYFVQCWQROAQZHI-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.19
Rot. Bonds7

About N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide

N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide (PubChem CID 53103748) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide
PubChem CID53103748
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC NameN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide
SMILESO=C(c1ccc(F)cc1)N1CCC(CCNS(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN2O3S/c22-20-8-6-19(7-9-20)21(25)24-14-11-17(12-15-24)10-13-23-28(26,27)16-18-4-2-1-3-5-18/h1-9,17,23H,10-16H2
InChIKeyYFVQCWQROAQZHI-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide
CID 121108054
5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide
CID 53103756
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 53103758
2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103824
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide
CID 53103840
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide
CID 53103868
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide (CID 53103748) is N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide is O=C(c1ccc(F)cc1)N1CCC(CCNS(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide?
The InChIKey is YFVQCWQROAQZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c22-20-8-6-19(7-9-20)21(25)24-14-11-17(12-15-24)10-13-23-28(26,27)16-18-4-2-1-3-5-18/h1-9,17,23H,10-16H2.
What are the key properties of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide?
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide has a molecular weight of 404.51 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 53103748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).