N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide

C24H26FN3O2S — CID 46055362

IUPACN-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C24H26FN3O2S/c1-19-4-10-24(11-5-19)31(29,30)28(22-8-6-21(25)7-9-22)23-12-15-27(16-13-23)18-20-3-2-14-26-17-20/h2-11,14,17,23H,12-13,15-16,18H2,1H3
InChIKeyNWUVKPIORVBROX-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.39
Rot. Bonds6

About N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide

N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 46055362) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
PubChem CID46055362
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC NameN-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C24H26FN3O2S/c1-19-4-10-24(11-5-19)31(29,30)28(22-8-6-21(25)7-9-22)23-12-15-27(16-13-23)18-20-3-2-14-26-17-20/h2-11,14,17,23H,12-13,15-16,18H2,1H3
InChIKeyNWUVKPIORVBROX-UHFFFAOYSA-N
XLogP4.39
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055393
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42853466
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46052106
N-(3-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 42858646
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 46055255
N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide
CID 10184484
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048407
4-chloro-N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46048435
4-chloro-N-(4-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048430
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 46052093

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide (CID 46055362) is N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(Cc3cccnc3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is NWUVKPIORVBROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-19-4-10-24(11-5-19)31(29,30)28(22-8-6-21(25)7-9-22)23-12-15-27(16-13-23)18-20-3-2-14-26-17-20/h2-11,14,17,23H,12-13,15-16,18H2,1H3.
What are the key properties of N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide?
N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 439.56 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 46055362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).