N-(2-iodophenyl)-4-sulfanylbenzamide

C13H10INOS — CID 107022140

IUPACN-(2-iodophenyl)-4-sulfanylbenzamide
SMILESO=C(Nc1ccccc1I)c1ccc(S)cc1
InChIInChI=1S/C13H10INOS/c14-11-3-1-2-4-12(11)15-13(16)9-5-7-10(17)8-6-9/h1-8,17H,(H,15,16)
InChIKeyCKGHVEIOTLXPCM-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.83
Rot. Bonds2

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

N-(2-iodophenyl)-4-sulfanylbenzamide (PubChem CID 107022140) has the molecular formula C13H10INOS and a molecular weight of 355.20 g/mol. Its IUPAC name is N-(2-iodophenyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-4-sulfanylbenzamide
PubChem CID107022140
Molecular FormulaC13H10INOS
Molecular Weight355.20 g/mol
Exact Mass354.95
IUPAC NameN-(2-iodophenyl)-4-sulfanylbenzamide
SMILESO=C(Nc1ccccc1I)c1ccc(S)cc1
InChIInChI=1S/C13H10INOS/c14-11-3-1-2-4-12(11)15-13(16)9-5-7-10(17)8-6-9/h1-8,17H,(H,15,16)
InChIKeyCKGHVEIOTLXPCM-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.83
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

4-[(2-iodophenyl)carbamoyl]benzoic acid
CID 43386509
4-fluoro-N-(2-iodophenyl)benzamide
CID 687036
4-benzamido-N-(2-iodophenyl)benzamide
CID 30766478
N-naphthalen-1-yl-4-sulfanylbenzamide
CID 107019782
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
3,4-dihydroxy-N-(2-iodophenyl)benzamide
CID 103956209
2-bromo-N-(2-iodophenyl)-5-sulfanylbenzamide
CID 107022131
N-(2-iodophenyl)-3,5-dimethylbenzamide
CID 2118558
3-hydroxy-N-(2-iodophenyl)benzamide
CID 28826262
3-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881825
6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043
4-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977721

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-4-sulfanylbenzamide?
The IUPAC name of N-(2-iodophenyl)-4-sulfanylbenzamide (CID 107022140) is N-(2-iodophenyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(2-iodophenyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(2-iodophenyl)-4-sulfanylbenzamide is O=C(Nc1ccccc1I)c1ccc(S)cc1.
What is the InChIKey of N-(2-iodophenyl)-4-sulfanylbenzamide?
The InChIKey is CKGHVEIOTLXPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INOS/c14-11-3-1-2-4-12(11)15-13(16)9-5-7-10(17)8-6-9/h1-8,17H,(H,15,16).
What are the key properties of N-(2-iodophenyl)-4-sulfanylbenzamide?
N-(2-iodophenyl)-4-sulfanylbenzamide has a molecular weight of 355.20 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107022140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).