2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C18H19IN2O3S — CID 1010360

IUPAC2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1I
InChIInChI=1S/C18H19IN2O3S/c19-17-7-3-2-6-16(17)18(22)20-14-8-10-15(11-9-14)25(23,24)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13H2,(H,20,22)
InChIKeyJCCJBMVUFSHQOQ-UHFFFAOYSA-N
MW470.33 g/mol
LogP3.72
Rot. Bonds4

About 2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 1010360) has the molecular formula C18H19IN2O3S and a molecular weight of 470.33 g/mol. Its IUPAC name is 2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID1010360
Molecular FormulaC18H19IN2O3S
Molecular Weight470.33 g/mol
Exact Mass470.02
IUPAC Name2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1I
InChIInChI=1S/C18H19IN2O3S/c19-17-7-3-2-6-16(17)18(22)20-14-8-10-15(11-9-14)25(23,24)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13H2,(H,20,22)
InChIKeyJCCJBMVUFSHQOQ-UHFFFAOYSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide 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

2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 2290469
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 38887662
2-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5181244
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 1007928
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095
2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 38020238
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethoxybenzamide
CID 51556740
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945392

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 1010360) is 2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is JCCJBMVUFSHQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O3S/c19-17-7-3-2-6-16(17)18(22)20-14-8-10-15(11-9-14)25(23,24)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13H2,(H,20,22).
What are the key properties of 2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 470.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1010360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).