2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide

C13H9BrINOS — CID 107022131

IUPAC2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide
SMILESO=C(Nc1ccccc1I)c1cc(S)ccc1Br
InChIInChI=1S/C13H9BrINOS/c14-10-6-5-8(18)7-9(10)13(17)16-12-4-2-1-3-11(12)15/h1-7,18H,(H,16,17)
InChIKeyHVLYBGQFVVSEFR-UHFFFAOYSA-N
MW434.10 g/mol
LogP4.59
Rot. Bonds2

About 2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide

2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide (PubChem CID 107022131) has the molecular formula C13H9BrINOS and a molecular weight of 434.10 g/mol. Its IUPAC name is 2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide
PubChem CID107022131
Molecular FormulaC13H9BrINOS
Molecular Weight434.10 g/mol
Exact Mass432.86
IUPAC Name2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide
SMILESO=C(Nc1ccccc1I)c1cc(S)ccc1Br
InChIInChI=1S/C13H9BrINOS/c14-10-6-5-8(18)7-9(10)13(17)16-12-4-2-1-3-11(12)15/h1-7,18H,(H,16,17)
InChIKeyHVLYBGQFVVSEFR-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.10
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2,3-dimethylphenyl)-5-sulfanylbenzamide
CID 107021458
4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide
CID 107022135
N-(2-iodophenyl)-4-sulfanylbenzamide
CID 107022140
2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide
CID 107027137
2-bromo-5-sulfanyl-N-(2,3,4-trifluorophenyl)benzamide
CID 107020290
2-bromo-N-(2-cyano-3-fluorophenyl)-5-sulfanylbenzamide
CID 107023196
2-bromo-5-sulfanyl-N-(2,3,5-trifluorophenyl)benzamide
CID 107028638
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653
2-bromo-N-(4-bromo-2-cyanophenyl)-5-sulfanylbenzamide
CID 107033611
2-bromo-N-(3-bromo-4-methylphenyl)-5-sulfanylbenzamide
CID 107029742
2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020427
2-bromo-N-(2-iodophenyl)furan-3-carboxamide
CID 106852274

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide?
The IUPAC name of 2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide (CID 107022131) is 2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide is O=C(Nc1ccccc1I)c1cc(S)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide?
The InChIKey is HVLYBGQFVVSEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrINOS/c14-10-6-5-8(18)7-9(10)13(17)16-12-4-2-1-3-11(12)15/h1-7,18H,(H,16,17).
What are the key properties of 2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide?
2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide has a molecular weight of 434.10 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107022131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).