N-(4-iodophenyl)-4-methylsulfanylbenzamide

C14H12INOS — CID 8571979

IUPACN-(4-iodophenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C14H12INOS/c1-18-13-8-2-10(3-9-13)14(17)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H,16,17)
InChIKeyKQEZLTPADLEHRQ-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.27
Rot. Bonds3

About N-(4-iodophenyl)-4-methylsulfanylbenzamide

N-(4-iodophenyl)-4-methylsulfanylbenzamide (PubChem CID 8571979) has the molecular formula C14H12INOS and a molecular weight of 369.23 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-methylsulfanylbenzamide
PubChem CID8571979
Molecular FormulaC14H12INOS
Molecular Weight369.23 g/mol
Exact Mass368.97
IUPAC NameN-(4-iodophenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C14H12INOS/c1-18-13-8-2-10(3-9-13)14(17)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H,16,17)
InChIKeyKQEZLTPADLEHRQ-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-iodophenyl)-4-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 43980966
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9153906
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
CID 63188297
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide
CID 113245194

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(4-iodophenyl)-4-methylsulfanylbenzamide (CID 8571979) is N-(4-iodophenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(4-iodophenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(4-iodophenyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-4-methylsulfanylbenzamide?
The InChIKey is KQEZLTPADLEHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INOS/c1-18-13-8-2-10(3-9-13)14(17)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H,16,17).
What are the key properties of N-(4-iodophenyl)-4-methylsulfanylbenzamide?
N-(4-iodophenyl)-4-methylsulfanylbenzamide has a molecular weight of 369.23 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 8571979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).