3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

C17H19IN2O4S — CID 100520095

IUPAC3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1I
InChIInChI=1S/C17H19IN2O4S/c1-23-17-7-6-15(12-16(17)18)25(21,22)19-13-2-4-14(5-3-13)20-8-10-24-11-9-20/h2-7,12,19H,8-11H2,1H3
InChIKeyXWIZNROHCWGVAI-UHFFFAOYSA-N
MW474.32 g/mol
LogP2.94
Rot. Bonds5

About 3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 100520095) has the molecular formula C17H19IN2O4S and a molecular weight of 474.32 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID100520095
Molecular FormulaC17H19IN2O4S
Molecular Weight474.32 g/mol
Exact Mass474.01
IUPAC Name3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1I
InChIInChI=1S/C17H19IN2O4S/c1-23-17-7-6-15(12-16(17)18)25(21,22)19-13-2-4-14(5-3-13)20-8-10-24-11-9-20/h2-7,12,19H,8-11H2,1H3
InChIKeyXWIZNROHCWGVAI-UHFFFAOYSA-N
XLogP2.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)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

2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide
CID 39324008
3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 9030518
4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362395
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 4647727
3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 1349058
3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 90595972
4-methoxy-3-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122355002
3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 110359837
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359854
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 100508329
N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 110362802
3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3856880

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (CID 100520095) is 3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1I.
What is the InChIKey of 3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is XWIZNROHCWGVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O4S/c1-23-17-7-6-15(12-16(17)18)25(21,22)19-13-2-4-14(5-3-13)20-8-10-24-11-9-20/h2-7,12,19H,8-11H2,1H3.
What are the key properties of 3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 474.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 100520095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).