2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide

C14H12BrNO2S — CID 107019316

IUPAC2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S)ccc2Br)cc1
InChIInChI=1S/C14H12BrNO2S/c1-18-10-4-2-9(3-5-10)16-14(17)12-8-11(19)6-7-13(12)15/h2-8,19H,1H3,(H,16,17)
InChIKeyKNGZYEBJWJSMGC-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.00
Rot. Bonds3

About 2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide

2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide (PubChem CID 107019316) has the molecular formula C14H12BrNO2S and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide
PubChem CID107019316
Molecular FormulaC14H12BrNO2S
Molecular Weight338.23 g/mol
Exact Mass336.98
IUPAC Name2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S)ccc2Br)cc1
InChIInChI=1S/C14H12BrNO2S/c1-18-10-4-2-9(3-5-10)16-14(17)12-8-11(19)6-7-13(12)15/h2-8,19H,1H3,(H,16,17)
InChIKeyKNGZYEBJWJSMGC-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide 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

2-bromo-N-(4-ethoxyphenyl)-5-sulfanylbenzamide
CID 107019829
2-bromo-N-(3,4-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020368
2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020427
2-bromo-N-naphthalen-2-yl-5-sulfanylbenzamide
CID 107027137
2-bromo-N-[(4-methoxyphenyl)methyl]-5-sulfanylbenzamide
CID 107020380
2-bromo-N-(3-bromo-4-methylphenyl)-5-sulfanylbenzamide
CID 107029742
2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55865424
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780
2-bromo-5-methoxy-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
CID 122287097
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 9191814
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide?
The IUPAC name of 2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide (CID 107019316) is 2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide is COc1ccc(NC(=O)c2cc(S)ccc2Br)cc1.
What is the InChIKey of 2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide?
The InChIKey is KNGZYEBJWJSMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2S/c1-18-10-4-2-9(3-5-10)16-14(17)12-8-11(19)6-7-13(12)15/h2-8,19H,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide?
2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide has a molecular weight of 338.23 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107019316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).