N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide

C15H11ClFN3O4S — CID 16558931

IUPACN'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide
SMILESO=C(CSc1ccc(F)c(Cl)c1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClFN3O4S/c16-12-7-11(4-5-13(12)17)25-8-14(21)18-19-15(22)9-2-1-3-10(6-9)20(23)24/h1-7H,8H2,(H,18,21)(H,19,22)
InChIKeyZHHBHNOAZRPPHY-UHFFFAOYSA-N
MW383.79 g/mol
LogP2.94
Rot. Bonds5

About N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide

N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide (PubChem CID 16558931) has the molecular formula C15H11ClFN3O4S and a molecular weight of 383.79 g/mol. Its IUPAC name is N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide
PubChem CID16558931
Molecular FormulaC15H11ClFN3O4S
Molecular Weight383.79 g/mol
Exact Mass383.01
IUPAC NameN'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide
SMILESO=C(CSc1ccc(F)c(Cl)c1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClFN3O4S/c16-12-7-11(4-5-13(12)17)25-8-14(21)18-19-15(22)9-2-1-3-10(6-9)20(23)24/h1-7H,8H2,(H,18,21)(H,19,22)
InChIKeyZHHBHNOAZRPPHY-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'}

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Related Compounds

4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 4832063
2-(4-chlorophenyl)sulfanyl-1-(3-nitrophenyl)ethanone
CID 43219969
N'-[2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-3-nitrobenzohydrazide
CID 18287612
N-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 18905041
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8680444
N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3354300
2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide
CID 9417975
N'-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-3-nitrobenzohydrazide
CID 8573539
5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide
CID 9333738
2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 35929032
N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide
CID 8763621

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide (CID 16558931) is N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide is O=C(CSc1ccc(F)c(Cl)c1)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide?
The InChIKey is ZHHBHNOAZRPPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O4S/c16-12-7-11(4-5-13(12)17)25-8-14(21)18-19-15(22)9-2-1-3-10(6-9)20(23)24/h1-7H,8H2,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide?
N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-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 N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 16558931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).