2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide

C16H14ClFN2O2S — CID 7964766

IUPAC2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
SMILESO=C(CCSc1ccc(F)cc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H14ClFN2O2S/c17-14-4-2-1-3-13(14)16(22)20-19-15(21)9-10-23-12-7-5-11(18)6-8-12/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyNXBZXLXXCPTGST-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.42
Rot. Bonds5

About 2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide

2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide (PubChem CID 7964766) has the molecular formula C16H14ClFN2O2S and a molecular weight of 352.82 g/mol. Its IUPAC name is 2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
PubChem CID7964766
Molecular FormulaC16H14ClFN2O2S
Molecular Weight352.82 g/mol
Exact Mass352.04
IUPAC Name2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
SMILESO=C(CCSc1ccc(F)cc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H14ClFN2O2S/c17-14-4-2-1-3-13(14)16(22)20-19-15(21)9-10-23-12-7-5-11(18)6-8-12/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyNXBZXLXXCPTGST-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.42
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 2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide (CID 7964766) is 2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide is O=C(CCSc1ccc(F)cc1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide?
The InChIKey is NXBZXLXXCPTGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2S/c17-14-4-2-1-3-13(14)16(22)20-19-15(21)9-10-23-12-7-5-11(18)6-8-12/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide?
2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide has a molecular weight of 352.82 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide is sourced from PubChem (CID 7964766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).