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

C19H13IN2O3S — CID 71459515

IUPACN-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide
SMILESO=C(Nc1ccccc1I)c1ccccc1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H13IN2O3S/c20-16-6-2-3-7-17(16)21-19(23)15-5-1-4-8-18(15)26-14-11-9-13(10-12-14)22(24)25/h1-12H,(H,21,23)
InChIKeyGJKXGVMYTMTRPS-UHFFFAOYSA-N
MW476.30 g/mol
LogP5.60
Rot. Bonds5

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

N-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide (PubChem CID 71459515) has the molecular formula C19H13IN2O3S and a molecular weight of 476.30 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide
PubChem CID71459515
Molecular FormulaC19H13IN2O3S
Molecular Weight476.30 g/mol
Exact Mass475.97
IUPAC NameN-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide
SMILESO=C(Nc1ccccc1I)c1ccccc1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H13IN2O3S/c20-16-6-2-3-7-17(16)21-19(23)15-5-1-4-8-18(15)26-14-11-9-13(10-12-14)22(24)25/h1-12H,(H,21,23)
InChIKeyGJKXGVMYTMTRPS-UHFFFAOYSA-N
XLogP5.60
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.30
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide?
The IUPAC name of N-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide (CID 71459515) is N-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide.
What is the SMILES notation for N-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide?
The canonical SMILES for N-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide is O=C(Nc1ccccc1I)c1ccccc1Sc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide?
The InChIKey is GJKXGVMYTMTRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13IN2O3S/c20-16-6-2-3-7-17(16)21-19(23)15-5-1-4-8-18(15)26-14-11-9-13(10-12-14)22(24)25/h1-12H,(H,21,23).
What are the key properties of N-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide?
N-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide has a molecular weight of 476.30 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-(4-nitrophenyl)sulfanylbenzamide is sourced from PubChem (CID 71459515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).