N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide

C23H26N2O3S — CID 46055237

IUPACN-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C2CCN(Cc3ccco3)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H26N2O3S/c1-19-9-11-20(12-10-19)25(29(26,27)23-7-3-2-4-8-23)21-13-15-24(16-14-21)18-22-6-5-17-28-22/h2-12,17,21H,13-16,18H2,1H3
InChIKeyAXBBORRMBXLCOL-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.45
Rot. Bonds6

About N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide

N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 46055237) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide
PubChem CID46055237
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C2CCN(Cc3ccco3)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H26N2O3S/c1-19-9-11-20(12-10-19)25(29(26,27)23-7-3-2-4-8-23)21-13-15-24(16-14-21)18-22-6-5-17-28-22/h2-12,17,21H,13-16,18H2,1H3
InChIKeyAXBBORRMBXLCOL-UHFFFAOYSA-N
XLogP4.45
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide
CID 46055225
N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide
CID 46055235
N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide
CID 10184484
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46052106
N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055362
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 46055255
3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46055277
3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055270
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 55668767
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide (CID 46055237) is N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(C2CCN(Cc3ccco3)CC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is AXBBORRMBXLCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-19-9-11-20(12-10-19)25(29(26,27)23-7-3-2-4-8-23)21-13-15-24(16-14-21)18-22-6-5-17-28-22/h2-12,17,21H,13-16,18H2,1H3.
What are the key properties of N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide?
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 410.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 46055237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).