4-bromo-N-(3-methylsulfanylphenyl)benzamide

C14H12BrNOS — CID 836471

IUPAC4-bromo-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C14H12BrNOS/c1-18-13-4-2-3-12(9-13)16-14(17)10-5-7-11(15)8-6-10/h2-9H,1H3,(H,16,17)
InChIKeyGNENLVPVRNFINT-UHFFFAOYSA-N
MW322.23 g/mol
LogP4.42
Rot. Bonds3

About 4-bromo-N-(3-methylsulfanylphenyl)benzamide

4-bromo-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 836471) has the molecular formula C14H12BrNOS and a molecular weight of 322.23 g/mol. Its IUPAC name is 4-bromo-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-methylsulfanylphenyl)benzamide
PubChem CID836471
Molecular FormulaC14H12BrNOS
Molecular Weight322.23 g/mol
Exact Mass320.98
IUPAC Name4-bromo-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C14H12BrNOS/c1-18-13-4-2-3-12(9-13)16-14(17)10-5-7-11(15)8-6-10/h2-9H,1H3,(H,16,17)
InChIKeyGNENLVPVRNFINT-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(3-methylsulfanylphenyl)benzamide 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 4-bromo-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-bromo-N-(3-methylsulfanylphenyl)benzamide (CID 836471) is 4-bromo-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is GNENLVPVRNFINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNOS/c1-18-13-4-2-3-12(9-13)16-14(17)10-5-7-11(15)8-6-10/h2-9H,1H3,(H,16,17).
What are the key properties of 4-bromo-N-(3-methylsulfanylphenyl)benzamide?
4-bromo-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 322.23 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 836471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).