N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide

C22H30N2O3S — CID 16887822

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N2O3S/c1-2-16-27-21-8-10-22(11-9-21)28(25,26)23-17-19-12-14-24(15-13-19)18-20-6-4-3-5-7-20/h3-11,19,23H,2,12-18H2,1H3
InChIKeyLXHFERLOEGOKOT-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.67
Rot. Bonds9

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

N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide (PubChem CID 16887822) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
PubChem CID16887822
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N2O3S/c1-2-16-27-21-8-10-22(11-9-21)28(25,26)23-17-19-12-14-24(15-13-19)18-20-6-4-3-5-7-20/h3-11,19,23H,2,12-18H2,1H3
InChIKeyLXHFERLOEGOKOT-UHFFFAOYSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888065
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837
N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887794
4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563620
4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121108109
4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888102
4-butoxy-N-[3-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]propyl]benzenesulfonamide
CID 162364697
N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 16887802
3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888154
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide
CID 130214962
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide (CID 16887822) is N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide?
The InChIKey is LXHFERLOEGOKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-2-16-27-21-8-10-22(11-9-21)28(25,26)23-17-19-12-14-24(15-13-19)18-20-6-4-3-5-7-20/h3-11,19,23H,2,12-18H2,1H3.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide?
N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide is sourced from PubChem (CID 16887822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).