5-amino-2-(2-bromophenyl)sulfanylbenzamide

C13H11BrN2OS — CID 61306852

IUPAC5-amino-2-(2-bromophenyl)sulfanylbenzamide
SMILESNC(=O)c1cc(N)ccc1Sc1ccccc1Br
InChIInChI=1S/C13H11BrN2OS/c14-10-3-1-2-4-12(10)18-11-6-5-8(15)7-9(11)13(16)17/h1-7H,15H2,(H2,16,17)
InChIKeyJYLACPCIJZWKTI-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.28
Rot. Bonds3

About 5-amino-2-(2-bromophenyl)sulfanylbenzamide

5-amino-2-(2-bromophenyl)sulfanylbenzamide (PubChem CID 61306852) has the molecular formula C13H11BrN2OS and a molecular weight of 323.22 g/mol. Its IUPAC name is 5-amino-2-(2-bromophenyl)sulfanylbenzamide.

Molecular Properties

Compound Name5-amino-2-(2-bromophenyl)sulfanylbenzamide
PubChem CID61306852
Molecular FormulaC13H11BrN2OS
Molecular Weight323.22 g/mol
Exact Mass321.98
IUPAC Name5-amino-2-(2-bromophenyl)sulfanylbenzamide
SMILESNC(=O)c1cc(N)ccc1Sc1ccccc1Br
InChIInChI=1S/C13H11BrN2OS/c14-10-3-1-2-4-12(10)18-11-6-5-8(15)7-9(11)13(16)17/h1-7H,15H2,(H2,16,17)
InChIKeyJYLACPCIJZWKTI-UHFFFAOYSA-N
XLogP3.28
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-(2-bromophenyl)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 5-amino-2-(2-bromophenyl)sulfanylbenzamide?
The IUPAC name of 5-amino-2-(2-bromophenyl)sulfanylbenzamide (CID 61306852) is 5-amino-2-(2-bromophenyl)sulfanylbenzamide.
What is the SMILES notation for 5-amino-2-(2-bromophenyl)sulfanylbenzamide?
The canonical SMILES for 5-amino-2-(2-bromophenyl)sulfanylbenzamide is NC(=O)c1cc(N)ccc1Sc1ccccc1Br.
What is the InChIKey of 5-amino-2-(2-bromophenyl)sulfanylbenzamide?
The InChIKey is JYLACPCIJZWKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2OS/c14-10-3-1-2-4-12(10)18-11-6-5-8(15)7-9(11)13(16)17/h1-7H,15H2,(H2,16,17).
What are the key properties of 5-amino-2-(2-bromophenyl)sulfanylbenzamide?
5-amino-2-(2-bromophenyl)sulfanylbenzamide has a molecular weight of 323.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-bromophenyl)sulfanylbenzamide is sourced from PubChem (CID 61306852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).