N-(4-iodophenyl)-3-sulfanylbenzamide

C13H10INOS — CID 107022116

IUPACN-(4-iodophenyl)-3-sulfanylbenzamide
SMILESO=C(Nc1ccc(I)cc1)c1cccc(S)c1
InChIInChI=1S/C13H10INOS/c14-10-4-6-11(7-5-10)15-13(16)9-2-1-3-12(17)8-9/h1-8,17H,(H,15,16)
InChIKeyQBRFQBMHLLFXBW-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.83
Rot. Bonds2

About N-(4-iodophenyl)-3-sulfanylbenzamide

N-(4-iodophenyl)-3-sulfanylbenzamide (PubChem CID 107022116) has the molecular formula C13H10INOS and a molecular weight of 355.20 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-sulfanylbenzamide
PubChem CID107022116
Molecular FormulaC13H10INOS
Molecular Weight355.20 g/mol
Exact Mass354.95
IUPAC NameN-(4-iodophenyl)-3-sulfanylbenzamide
SMILESO=C(Nc1ccc(I)cc1)c1cccc(S)c1
InChIInChI=1S/C13H10INOS/c14-10-4-6-11(7-5-10)15-13(16)9-2-1-3-12(17)8-9/h1-8,17H,(H,15,16)
InChIKeyQBRFQBMHLLFXBW-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

1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
N-(3,5-dimethylphenyl)-3-sulfanylbenzamide
CID 107021223
N-(4-iodophenyl)-3-propan-2-ylbenzamide
CID 175863152
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide
CID 166287423
N-quinolin-6-yl-3-sulfanylbenzamide
CID 107028522
N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide
CID 107022114
3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033720
N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide
CID 114222934
3,5-difluoro-N-(4-iodophenyl)benzamide
CID 3874548
N-(4-fluorophenyl)-3-[(4-iodophenyl)sulfamoyl]benzamide
CID 1337540

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-sulfanylbenzamide?
The IUPAC name of N-(4-iodophenyl)-3-sulfanylbenzamide (CID 107022116) is N-(4-iodophenyl)-3-sulfanylbenzamide.
What is the SMILES notation for N-(4-iodophenyl)-3-sulfanylbenzamide?
The canonical SMILES for N-(4-iodophenyl)-3-sulfanylbenzamide is O=C(Nc1ccc(I)cc1)c1cccc(S)c1.
What is the InChIKey of N-(4-iodophenyl)-3-sulfanylbenzamide?
The InChIKey is QBRFQBMHLLFXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INOS/c14-10-4-6-11(7-5-10)15-13(16)9-2-1-3-12(17)8-9/h1-8,17H,(H,15,16).
What are the key properties of N-(4-iodophenyl)-3-sulfanylbenzamide?
N-(4-iodophenyl)-3-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-(4-iodophenyl)-3-sulfanylbenzamide is sourced from PubChem (CID 107022116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).