N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide

C19H22F2N2O2S — CID 87015324

IUPACN-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(c1c(F)cccc1F)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H22F2N2O2S/c1-14(19-17(20)8-5-9-18(19)21)23-12-10-15(11-13-23)22-26(24,25)16-6-3-2-4-7-16/h2-9,14-15,22H,10-13H2,1H3
InChIKeyURZKMHVLPXKRFV-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.47
Rot. Bonds5

About N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide

N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 87015324) has the molecular formula C19H22F2N2O2S and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID87015324
Molecular FormulaC19H22F2N2O2S
Molecular Weight380.46 g/mol
Exact Mass380.14
IUPAC NameN-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(c1c(F)cccc1F)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H22F2N2O2S/c1-14(19-17(20)8-5-9-18(19)21)23-12-10-15(11-13-23)22-26(24,25)16-6-3-2-4-7-16/h2-9,14-15,22H,10-13H2,1H3
InChIKeyURZKMHVLPXKRFV-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-4-fluorobenzenesulfonamide
CID 668993
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
2-(4-Fluorophenyl)-1-tosylpyrrolidine
CID 17950211
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide
CID 583321
1-(3-Fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 764400
1-(1-Benzyl-4-piperidinyl)-4-(phenylsulfonyl)piperazine
CID 1131737
N-benzyl-4-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]benzenesulfonamide
CID 44523667
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 4794396
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide
CID 11674602
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]benzenesulfonamide
CID 23111951
(2S)-2-(4-Fluorophenyl)-1-(4-methylbenzene-1-sulfonyl)pyrrolidine
CID 32681978
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-fluoro-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 44296728

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide (CID 87015324) is N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide is CC(c1c(F)cccc1F)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is URZKMHVLPXKRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2S/c1-14(19-17(20)8-5-9-18(19)21)23-12-10-15(11-13-23)22-26(24,25)16-6-3-2-4-7-16/h2-9,14-15,22H,10-13H2,1H3.
What are the key properties of N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 380.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 87015324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).