N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide

C26H27IN2O3S — CID 126178030

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide
SMILESO=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H27IN2O3S/c27-23-11-13-24(14-12-23)29(33(31,32)25-9-5-2-6-10-25)20-26(30)28-17-15-22(16-18-28)19-21-7-3-1-4-8-21/h1-14,22H,15-20H2
InChIKeyGNFBOQXEHJZDFN-UHFFFAOYSA-N
MW574.48 g/mol
LogP4.97
Rot. Bonds7

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide (PubChem CID 126178030) has the molecular formula C26H27IN2O3S and a molecular weight of 574.48 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide
PubChem CID126178030
Molecular FormulaC26H27IN2O3S
Molecular Weight574.48 g/mol
Exact Mass574.08
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide
SMILESO=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H27IN2O3S/c27-23-11-13-24(14-12-23)29(33(31,32)25-9-5-2-6-10-25)20-26(30)28-17-15-22(16-18-28)19-21-7-3-1-4-8-21/h1-14,22H,15-20H2
InChIKeyGNFBOQXEHJZDFN-UHFFFAOYSA-N
XLogP4.97
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1000027
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 2950979
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide
CID 126175570
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 51343527
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 51343487
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)methanesulfonamide
CID 1143321
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 51343685
N-(4-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1000741
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 51343926
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)benzenesulfonamide
CID 51343508
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 2925753
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 126009765

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide (CID 126178030) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide is O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide?
The InChIKey is GNFBOQXEHJZDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27IN2O3S/c27-23-11-13-24(14-12-23)29(33(31,32)25-9-5-2-6-10-25)20-26(30)28-17-15-22(16-18-28)19-21-7-3-1-4-8-21/h1-14,22H,15-20H2.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide has a molecular weight of 574.48 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 126178030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).