N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide

C19H23FN2O2S — CID 16887794

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C19H23FN2O2S/c20-18-7-4-8-19(13-18)25(23,24)21-14-16-9-11-22(12-10-16)15-17-5-2-1-3-6-17/h1-8,13,16,21H,9-12,14-15H2
InChIKeyVRCISLGHYCYNTO-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.02
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide

N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide (PubChem CID 16887794) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
PubChem CID16887794
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C19H23FN2O2S/c20-18-7-4-8-19(13-18)25(23,24)21-14-16-9-11-22(12-10-16)15-17-5-2-1-3-6-17/h1-8,13,16,21H,9-12,14-15H2
InChIKeyVRCISLGHYCYNTO-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887867
N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 16887771
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
3-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 18096859
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887715
N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide
CID 106135235
N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887822
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20936094
3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624838
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 16887802

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide (CID 16887794) is N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide is O=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1cccc(F)c1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide?
The InChIKey is VRCISLGHYCYNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c20-18-7-4-8-19(13-18)25(23,24)21-14-16-9-11-22(12-10-16)15-17-5-2-1-3-6-17/h1-8,13,16,21H,9-12,14-15H2.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide?
N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide has a molecular weight of 362.47 g/mol, XLogP of 3.02, 6 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)methyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 16887794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).