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

C13H9BrINOS — CID 107022135

IUPAC4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide
SMILESO=C(Nc1ccccc1I)c1ccc(Br)cc1S
InChIInChI=1S/C13H9BrINOS/c14-8-5-6-9(12(18)7-8)13(17)16-11-4-2-1-3-10(11)15/h1-7,18H,(H,16,17)
InChIKeyCQOWPTUBVLILFT-UHFFFAOYSA-N
MW434.10 g/mol
LogP4.59
Rot. Bonds2

About 4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide

4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide (PubChem CID 107022135) has the molecular formula C13H9BrINOS and a molecular weight of 434.10 g/mol. Its IUPAC name is 4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide
PubChem CID107022135
Molecular FormulaC13H9BrINOS
Molecular Weight434.10 g/mol
Exact Mass432.86
IUPAC Name4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide
SMILESO=C(Nc1ccccc1I)c1ccc(Br)cc1S
InChIInChI=1S/C13H9BrINOS/c14-8-5-6-9(12(18)7-8)13(17)16-11-4-2-1-3-10(11)15/h1-7,18H,(H,16,17)
InChIKeyCQOWPTUBVLILFT-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-iodophenyl)-5-sulfanylbenzamide
CID 107022131
4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide
CID 107033617
4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid
CID 60916636
N-(4-bromo-2-methylphenyl)-2-sulfanylbenzamide
CID 113220443
4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide
CID 107031288
5-bromo-2-iodo-N-(2-methylphenyl)benzamide
CID 1368072
2-chloro-N-(2-iodophenyl)-4-methylbenzamide
CID 106491010
4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide
CID 107031810
2-bromo-N-(2-iodophenyl)furan-3-carboxamide
CID 106852274
4-bromo-N-(4-cyano-2-fluorophenyl)-2-sulfanylbenzamide
CID 107033218
2-[(2-amino-4-bromobenzoyl)amino]benzoic acid
CID 79721511
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide?
The IUPAC name of 4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide (CID 107022135) is 4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide?
The canonical SMILES for 4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide is O=C(Nc1ccccc1I)c1ccc(Br)cc1S.
What is the InChIKey of 4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide?
The InChIKey is CQOWPTUBVLILFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrINOS/c14-8-5-6-9(12(18)7-8)13(17)16-11-4-2-1-3-10(11)15/h1-7,18H,(H,16,17).
What are the key properties of 4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide?
4-bromo-N-(2-iodophenyl)-2-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 4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide is sourced from PubChem (CID 107022135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).