2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide

C15H11ClFN3O4S — CID 9417975

IUPAC2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H11ClFN3O4S/c16-11-6-5-9(20(23)24)7-10(11)15(22)19-18-14(21)8-25-13-4-2-1-3-12(13)17/h1-7H,8H2,(H,18,21)(H,19,22)
InChIKeyBFYRLSSDKISSQT-UHFFFAOYSA-N
MW383.79 g/mol
LogP2.94
Rot. Bonds5

About 2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide

2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide (PubChem CID 9417975) has the molecular formula C15H11ClFN3O4S and a molecular weight of 383.79 g/mol. Its IUPAC name is 2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide
PubChem CID9417975
Molecular FormulaC15H11ClFN3O4S
Molecular Weight383.79 g/mol
Exact Mass383.01
IUPAC Name2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H11ClFN3O4S/c16-11-6-5-9(20(23)24)7-10(11)15(22)19-18-14(21)8-25-13-4-2-1-3-12(13)17/h1-7H,8H2,(H,18,21)(H,19,22)
InChIKeyBFYRLSSDKISSQT-UHFFFAOYSA-N
XLogP2.94
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 35929032
2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 7965036
2-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide
CID 7969929
2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
CID 35613298
N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 3313199
N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide
CID 16558931
N-[3-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 24641172
N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide
CID 2093520
2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 43043195
2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135582572

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide (CID 9417975) is 2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide is O=C(CSc1ccccc1F)NNC(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide?
The InChIKey is BFYRLSSDKISSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O4S/c16-11-6-5-9(20(23)24)7-10(11)15(22)19-18-14(21)8-25-13-4-2-1-3-12(13)17/h1-7H,8H2,(H,18,21)(H,19,22).
What are the key properties of 2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide?
2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide has a molecular weight of 383.79 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide is sourced from PubChem (CID 9417975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).