2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide

C15H12ClN3O4S — CID 35929032

IUPAC2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H12ClN3O4S/c16-13-4-2-1-3-12(13)15(21)18-17-14(20)9-24-11-7-5-10(6-8-11)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyLIYNBZFUVRHIJT-UHFFFAOYSA-N
MW365.80 g/mol
LogP2.80
Rot. Bonds5

About 2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide

2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide (PubChem CID 35929032) has the molecular formula C15H12ClN3O4S and a molecular weight of 365.80 g/mol. Its IUPAC name is 2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
PubChem CID35929032
Molecular FormulaC15H12ClN3O4S
Molecular Weight365.80 g/mol
Exact Mass365.02
IUPAC Name2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H12ClN3O4S/c16-13-4-2-1-3-12(13)15(21)18-17-14(20)9-24-11-7-5-10(6-8-11)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyLIYNBZFUVRHIJT-UHFFFAOYSA-N
XLogP2.80
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 52.80
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-(4-nitrophenyl)sulfanylacetyl]benzohydrazide 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

4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 4832063
N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide
CID 35930229
5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 2125835
N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide
CID 4508937
2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide
CID 9417975
2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 24639839
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-hydroxybenzohydrazide
CID 35515360
2-chloro-N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
CID 4805905
1-benzyl-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiourea
CID 22831033
N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide
CID 16558931
2-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 51140256
N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 46458024

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide (CID 35929032) is 2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide is O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is LIYNBZFUVRHIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4S/c16-13-4-2-1-3-12(13)15(21)18-17-14(20)9-24-11-7-5-10(6-8-11)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21).
What are the key properties of 2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 365.80 g/mol, XLogP of 2.80, 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-(4-nitrophenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 35929032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).