N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide

C18H20F2N2O2S — CID 2384883

IUPACN-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N2O2S/c19-17-7-6-16(12-18(17)20)25(23,24)21-15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15,21H,8-11,13H2
InChIKeyAWGMJXAAECKMCE-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.91
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide

N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide (PubChem CID 2384883) has the molecular formula C18H20F2N2O2S and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide
PubChem CID2384883
Molecular FormulaC18H20F2N2O2S
Molecular Weight366.43 g/mol
Exact Mass366.12
IUPAC NameN-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N2O2S/c19-17-7-6-16(12-18(17)20)25(23,24)21-15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15,21H,8-11,13H2
InChIKeyAWGMJXAAECKMCE-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.91
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
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 49862577
N-[2-(azepan-1-yl)-2-phenylethyl]-3,4-difluorobenzenesulfonamide
CID 49862627
N-[2-(azepan-1-yl)-2-phenylethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 49862689
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-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
CID 2813021
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

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide (CID 2384883) is N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide is O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide?
The InChIKey is AWGMJXAAECKMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2S/c19-17-7-6-16(12-18(17)20)25(23,24)21-15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15,21H,8-11,13H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide has a molecular weight of 366.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 2384883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).