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

C15H12ClN3O4S — CID 4832063

IUPAC4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O4S/c16-11-3-1-10(2-4-11)15(21)18-17-14(20)9-24-13-7-5-12(6-8-13)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyOUTZDPFXCKURKH-UHFFFAOYSA-N
MW365.80 g/mol
LogP2.80
Rot. Bonds5

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

4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide (PubChem CID 4832063) has the molecular formula C15H12ClN3O4S and a molecular weight of 365.80 g/mol. Its IUPAC name is 4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
PubChem CID4832063
Molecular FormulaC15H12ClN3O4S
Molecular Weight365.80 g/mol
Exact Mass365.02
IUPAC Name4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O4S/c16-11-3-1-10(2-4-11)15(21)18-17-14(20)9-24-13-7-5-12(6-8-13)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyOUTZDPFXCKURKH-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'}

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Related Compounds

N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-nitrobenzohydrazide
CID 27994605
2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 35929032
5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 2125835
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 2678141
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-nitrobenzoate
CID 7859421
N'-[3-(3,4-difluorophenyl)sulfanylpropanoyl]-4-nitrobenzohydrazide
CID 9036506
N'-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-3-nitrobenzohydrazide
CID 16558931
2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 24639839
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide
CID 7434037
4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide
CID 4173331
N-[3-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 24641172

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide (CID 4832063) is 4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide is O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is OUTZDPFXCKURKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4S/c16-11-3-1-10(2-4-11)15(21)18-17-14(20)9-24-13-7-5-12(6-8-13)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21).
What are the key properties of 4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
4-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 4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 4832063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).