4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide

C15H12BrFN2O2S — CID 2591603

IUPAC4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrFN2O2S/c16-11-7-5-10(6-8-11)15(21)19-18-14(20)9-22-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyAYWRZOTYDCCCMW-UHFFFAOYSA-N
MW383.24 g/mol
LogP3.14
Rot. Bonds4

About 4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide

4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide (PubChem CID 2591603) has the molecular formula C15H12BrFN2O2S and a molecular weight of 383.24 g/mol. Its IUPAC name is 4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
PubChem CID2591603
Molecular FormulaC15H12BrFN2O2S
Molecular Weight383.24 g/mol
Exact Mass381.98
IUPAC Name4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrFN2O2S/c16-11-7-5-10(6-8-11)15(21)19-18-14(20)9-22-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyAYWRZOTYDCCCMW-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 53.14
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

N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide
CID 27006547
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 24641284
4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7780155
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
4-bromo-N'-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]benzohydrazide
CID 2437190
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
CID 30109513
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide
CID 7969929
5-[[[2-(2-fluorophenyl)sulfanylacetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
CID 9091346
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate
CID 2511431
4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9418020
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
CID 9418013

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide (CID 2591603) is 4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide is O=C(CSc1ccccc1F)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is AYWRZOTYDCCCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2S/c16-11-7-5-10(6-8-11)15(21)19-18-14(20)9-22-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,20)(H,19,21).
What are the key properties of 4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide?
4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 383.24 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 2591603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).