2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide

C15H12BrCl3N2OS — CID 5199553

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESCc1cc(Br)ccc1SCC(=O)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl3N2OS/c1-8-4-9(16)2-3-13(8)23-7-14(22)20-21-15-11(18)5-10(17)6-12(15)19/h2-6,21H,7H2,1H3,(H,20,22)
InChIKeyJSYCNQKGIJNZGY-UHFFFAOYSA-N
MW454.60 g/mol
LogP5.95
Rot. Bonds5

About 2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide

2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide (PubChem CID 5199553) has the molecular formula C15H12BrCl3N2OS and a molecular weight of 454.60 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide
PubChem CID5199553
Molecular FormulaC15H12BrCl3N2OS
Molecular Weight454.60 g/mol
Exact Mass451.89
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESCc1cc(Br)ccc1SCC(=O)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl3N2OS/c1-8-4-9(16)2-3-13(8)23-7-14(22)20-21-15-11(18)5-10(17)6-12(15)19/h2-6,21H,7H2,1H3,(H,20,22)
InChIKeyJSYCNQKGIJNZGY-UHFFFAOYSA-N
XLogP5.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.60
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide 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-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide
CID 4844789
1-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-tert-butylthiourea
CID 9425519
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 114618268
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
N'-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 4808652
2-(4-bromo-2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2119755
1-benzyl-3-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]thiourea
CID 4040228
ethyl 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]acetate
CID 47257649
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide
CID 64793360
4-amino-2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-4-oxobutanoic acid
CID 43240165
5-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]pentanoic acid
CID 62031936
3-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66172149

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide (CID 5199553) is 2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide is Cc1cc(Br)ccc1SCC(=O)NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The InChIKey is JSYCNQKGIJNZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl3N2OS/c1-8-4-9(16)2-3-13(8)23-7-14(22)20-21-15-11(18)5-10(17)6-12(15)19/h2-6,21H,7H2,1H3,(H,20,22).
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide has a molecular weight of 454.60 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide is sourced from PubChem (CID 5199553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).