N'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide

C14H13BrN2OS — CID 118723753

IUPACN'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide
SMILESCC(=O)NNc1ccccc1Sc1ccccc1Br
InChIInChI=1S/C14H13BrN2OS/c1-10(18)16-17-12-7-3-5-9-14(12)19-13-8-4-2-6-11(13)15/h2-9,17H,1H3,(H,16,18)
InChIKeyDNHBGZZPDPOGLB-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.06
Rot. Bonds4

About N'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide

N'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide (PubChem CID 118723753) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is N'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide
PubChem CID118723753
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC NameN'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide
SMILESCC(=O)NNc1ccccc1Sc1ccccc1Br
InChIInChI=1S/C14H13BrN2OS/c1-10(18)16-17-12-7-3-5-9-14(12)19-13-8-4-2-6-11(13)15/h2-9,17H,1H3,(H,16,18)
InChIKeyDNHBGZZPDPOGLB-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide?
The IUPAC name of N'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide (CID 118723753) is N'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide.
What is the SMILES notation for N'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide?
The canonical SMILES for N'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide is CC(=O)NNc1ccccc1Sc1ccccc1Br.
What is the InChIKey of N'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide?
The InChIKey is DNHBGZZPDPOGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-10(18)16-17-12-7-3-5-9-14(12)19-13-8-4-2-6-11(13)15/h2-9,17H,1H3,(H,16,18).
What are the key properties of N'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide?
N'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide has a molecular weight of 337.24 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromophenyl)sulfanylphenyl]acetohydrazide is sourced from PubChem (CID 118723753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).