4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide

C15H14IN3OS — CID 102165856

IUPAC4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide
SMILESO=C(NCCS)c1ccc(/N=N/c2ccc(I)cc2)cc1
InChIInChI=1S/C15H14IN3OS/c16-12-3-7-14(8-4-12)19-18-13-5-1-11(2-6-13)15(20)17-9-10-21/h1-8,21H,9-10H2,(H,17,20)/b19-18+
InChIKeyMRFAIZBJYYTRDR-VHEBQXMUSA-N
MW411.27 g/mol
LogP4.37
Rot. Bonds5

About 4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide

4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide (PubChem CID 102165856) has the molecular formula C15H14IN3OS and a molecular weight of 411.27 g/mol. Its IUPAC name is 4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide.

Molecular Properties

Compound Name4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide
PubChem CID102165856
Molecular FormulaC15H14IN3OS
Molecular Weight411.27 g/mol
Exact Mass410.99
IUPAC Name4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide
SMILESO=C(NCCS)c1ccc(/N=N/c2ccc(I)cc2)cc1
InChIInChI=1S/C15H14IN3OS/c16-12-3-7-14(8-4-12)19-18-13-5-1-11(2-6-13)15(20)17-9-10-21/h1-8,21H,9-10H2,(H,17,20)/b19-18+
InChIKeyMRFAIZBJYYTRDR-VHEBQXMUSA-N
XLogP4.37
TPSA53.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.27
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-(3-iodopropyl)benzamide
CID 114504016
3-iodo-N-(2-sulfanylethyl)benzamide
CID 130616001
N-(2-azidoethyl)-4-iodobenzamide
CID 61342879
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
4-iodo-N-(6-iodohexyl)benzamide
CID 107848472
4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide
CID 88534888
but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide
CID 142338610
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 79039211
N-(2-amino-2-oxoethyl)-4-iodobenzamide
CID 60668486
N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide
CID 141482420

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide?
The IUPAC name of 4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide (CID 102165856) is 4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide.
What is the SMILES notation for 4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide?
The canonical SMILES for 4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide is O=C(NCCS)c1ccc(/N=N/c2ccc(I)cc2)cc1.
What is the InChIKey of 4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide?
The InChIKey is MRFAIZBJYYTRDR-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H14IN3OS/c16-12-3-7-14(8-4-12)19-18-13-5-1-11(2-6-13)15(20)17-9-10-21/h1-8,21H,9-10H2,(H,17,20)/b19-18+.
What are the key properties of 4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide?
4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide has a molecular weight of 411.27 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide is sourced from PubChem (CID 102165856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).