N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide

C15H13BrN2O2S — CID 4807983

IUPACN'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
SMILESCSc1ccccc1C(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C15H13BrN2O2S/c1-21-13-9-5-3-7-11(13)15(20)18-17-14(19)10-6-2-4-8-12(10)16/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyUQXKVIZOZSPPQJ-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.25
Rot. Bonds3

About N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide

N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide (PubChem CID 4807983) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
PubChem CID4807983
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC NameN'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
SMILESCSc1ccccc1C(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C15H13BrN2O2S/c1-21-13-9-5-3-7-11(13)15(20)18-17-14(19)10-6-2-4-8-12(10)16/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyUQXKVIZOZSPPQJ-UHFFFAOYSA-N
XLogP3.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide
CID 26798777
N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
CID 4807845
N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide
CID 79214209
N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide
CID 112725117
N-tert-butyl-2-methylsulfanylbenzamide
CID 967733
N-(4-bromo-3-methylphenyl)-2-methylsulfanylbenzamide
CID 1243705
2-bromo-1-(2-methylsulfanylphenyl)ethanone
CID 22462171
N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide
CID 27672192
2-bromo-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide
CID 9399842
N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide
CID 79215660
2-methylsulfanylbenzoate
CID 6932478

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide (CID 4807983) is N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide is CSc1ccccc1C(=O)NNC(=O)c1ccccc1Br.
What is the InChIKey of N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide?
The InChIKey is UQXKVIZOZSPPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-21-13-9-5-3-7-11(13)15(20)18-17-14(19)10-6-2-4-8-12(10)16/h2-9H,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide?
N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide has a molecular weight of 365.25 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide is sourced from PubChem (CID 4807983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).