N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

C21H26N2O3S — CID 4806879

IUPACN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2O3S/c24-21(11-14-22-27(25,26)20-9-5-2-6-10-20)23-15-12-19(13-16-23)17-18-7-3-1-4-8-18/h1-10,19,22H,11-17H2
InChIKeyLVRFUAPSRKZULH-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.84
Rot. Bonds7

About N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 4806879) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID4806879
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2O3S/c24-21(11-14-22-27(25,26)20-9-5-2-6-10-20)23-15-12-19(13-16-23)17-18-7-3-1-4-8-18/h1-10,19,22H,11-17H2
InChIKeyLVRFUAPSRKZULH-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 4806879) is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is LVRFUAPSRKZULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-21(11-14-22-27(25,26)20-9-5-2-6-10-20)23-15-12-19(13-16-23)17-18-7-3-1-4-8-18/h1-10,19,22H,11-17H2.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 4806879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).