2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide

C15H12BrF3N2OS — CID 56519757

IUPAC2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide
SMILESCC(Sc1ccc(Br)cc1)C(=O)NNc1ccc(F)c(F)c1F
InChIInChI=1S/C15H12BrF3N2OS/c1-8(23-10-4-2-9(16)3-5-10)15(22)21-20-12-7-6-11(17)13(18)14(12)19/h2-8,20H,1H3,(H,21,22)
InChIKeyZCSJGPSQQCLZHC-UHFFFAOYSA-N
MW405.24 g/mol
LogP4.49
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide

2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide (PubChem CID 56519757) has the molecular formula C15H12BrF3N2OS and a molecular weight of 405.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide
PubChem CID56519757
Molecular FormulaC15H12BrF3N2OS
Molecular Weight405.24 g/mol
Exact Mass403.98
IUPAC Name2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide
SMILESCC(Sc1ccc(Br)cc1)C(=O)NNc1ccc(F)c(F)c1F
InChIInChI=1S/C15H12BrF3N2OS/c1-8(23-10-4-2-9(16)3-5-10)15(22)21-20-12-7-6-11(17)13(18)14(12)19/h2-8,20H,1H3,(H,21,22)
InChIKeyZCSJGPSQQCLZHC-UHFFFAOYSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide (CID 56519757) is 2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide is CC(Sc1ccc(Br)cc1)C(=O)NNc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide?
The InChIKey is ZCSJGPSQQCLZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N2OS/c1-8(23-10-4-2-9(16)3-5-10)15(22)21-20-12-7-6-11(17)13(18)14(12)19/h2-8,20H,1H3,(H,21,22).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide?
2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide has a molecular weight of 405.24 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N'-(2,3,4-trifluorophenyl)propanehydrazide is sourced from PubChem (CID 56519757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).