4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide

C11H8BrNOS2 — CID 107031810

IUPAC4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide
SMILESO=C(Nc1ccsc1)c1ccc(Br)cc1S
InChIInChI=1S/C11H8BrNOS2/c12-7-1-2-9(10(15)5-7)11(14)13-8-3-4-16-6-8/h1-6,15H,(H,13,14)
InChIKeyZXOCPYIZWRHOLJ-UHFFFAOYSA-N
MW314.23 g/mol
LogP4.05
Rot. Bonds2

About 4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide

4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide (PubChem CID 107031810) has the molecular formula C11H8BrNOS2 and a molecular weight of 314.23 g/mol. Its IUPAC name is 4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide.

Molecular Properties

Compound Name4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide
PubChem CID107031810
Molecular FormulaC11H8BrNOS2
Molecular Weight314.23 g/mol
Exact Mass312.92
IUPAC Name4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide
SMILESO=C(Nc1ccsc1)c1ccc(Br)cc1S
InChIInChI=1S/C11H8BrNOS2/c12-7-1-2-9(10(15)5-7)11(14)13-8-3-4-16-6-8/h1-6,15H,(H,13,14)
InChIKeyZXOCPYIZWRHOLJ-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide 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-bromo-2-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
CID 107029559
2-bromo-N-thiophen-3-ylthiophene-3-carboxamide
CID 164662365
4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide
CID 107021257
4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide
CID 107021994
4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide
CID 107031288
4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide
CID 107019834
2-bromo-N-thiophen-3-ylfuran-3-carboxamide
CID 106854104
4-bromo-N-(2-iodophenyl)-2-sulfanylbenzamide
CID 107022135
4-bromo-N-(3-ethoxyphenyl)-2-sulfanylbenzamide
CID 107025832
4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide
CID 107033617
2-amino-4-fluoro-N-thiophen-3-ylbenzamide
CID 66354589
2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide
CID 113400222

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide?
The IUPAC name of 4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide (CID 107031810) is 4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide.
What is the SMILES notation for 4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide?
The canonical SMILES for 4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide is O=C(Nc1ccsc1)c1ccc(Br)cc1S.
What is the InChIKey of 4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide?
The InChIKey is ZXOCPYIZWRHOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNOS2/c12-7-1-2-9(10(15)5-7)11(14)13-8-3-4-16-6-8/h1-6,15H,(H,13,14).
What are the key properties of 4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide?
4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide has a molecular weight of 314.23 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide is sourced from PubChem (CID 107031810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).