N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

C19H21IN2O3S — CID 26638354

IUPACN-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C19H21IN2O3S/c1-14-5-10-17(26(24,25)22-11-3-2-4-12-22)13-18(14)19(23)21-16-8-6-15(20)7-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)
InChIKeyVNIYBPIWYGNDKS-UHFFFAOYSA-N
MW484.36 g/mol
LogP4.03
Rot. Bonds4

About N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 26638354) has the molecular formula C19H21IN2O3S and a molecular weight of 484.36 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID26638354
Molecular FormulaC19H21IN2O3S
Molecular Weight484.36 g/mol
Exact Mass484.03
IUPAC NameN-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C19H21IN2O3S/c1-14-5-10-17(26(24,25)22-11-3-2-4-12-22)13-18(14)19(23)21-16-8-6-15(20)7-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)
InChIKeyVNIYBPIWYGNDKS-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide 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-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 27906905
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43882515
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 100709394
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 28590362
N-(1,3-benzodioxol-5-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8701185
5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43882630
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 26638354) is N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is VNIYBPIWYGNDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O3S/c1-14-5-10-17(26(24,25)22-11-3-2-4-12-22)13-18(14)19(23)21-16-8-6-15(20)7-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,21,23).
What are the key properties of N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 484.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26638354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).