2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide

C14H10Cl3N3O3S — CID 24639839

IUPAC2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3N3O3S/c15-8-5-11(16)14(12(17)6-8)19-18-13(21)7-24-10-3-1-9(2-4-10)20(22)23/h1-6,19H,7H2,(H,18,21)
InChIKeyWSGZZGOHTSAUNE-UHFFFAOYSA-N
MW406.68 g/mol
LogP4.79
Rot. Bonds6

About 2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide

2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide (PubChem CID 24639839) has the molecular formula C14H10Cl3N3O3S and a molecular weight of 406.68 g/mol. Its IUPAC name is 2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide.

Molecular Properties

Compound Name2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide
PubChem CID24639839
Molecular FormulaC14H10Cl3N3O3S
Molecular Weight406.68 g/mol
Exact Mass404.95
IUPAC Name2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3N3O3S/c15-8-5-11(16)14(12(17)6-8)19-18-13(21)7-24-10-3-1-9(2-4-10)20(22)23/h1-6,19H,7H2,(H,18,21)
InChIKeyWSGZZGOHTSAUNE-UHFFFAOYSA-N
XLogP4.79
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.68
LogP ≤ 54.79
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
N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26086204
2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 35929032
N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3354300
1-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-(2,4,6-trichlorophenyl)urea
CID 134102372
5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 2125835
2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7501336
2-(4-nitrophenyl)sulfanylacetate
CID 6949291
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 46458024
1-tert-butyl-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiourea
CID 9425614
N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26360934

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The IUPAC name of 2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide (CID 24639839) is 2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide.
What is the SMILES notation for 2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The canonical SMILES for 2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide is O=C(CSc1ccc([N+](=O)[O-])cc1)NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The InChIKey is WSGZZGOHTSAUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3O3S/c15-8-5-11(16)14(12(17)6-8)19-18-13(21)7-24-10-3-1-9(2-4-10)20(22)23/h1-6,19H,7H2,(H,18,21).
What are the key properties of 2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide has a molecular weight of 406.68 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)sulfanyl-N'-(2,4,6-trichlorophenyl)acetohydrazide is sourced from PubChem (CID 24639839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).