4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide

C14H12N4O4S — CID 4173331

IUPAC4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide
SMILESO=C(CSc1ccccn1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N4O4S/c19-12(9-23-13-3-1-2-8-15-13)16-17-14(20)10-4-6-11(7-5-10)18(21)22/h1-8H,9H2,(H,16,19)(H,17,20)
InChIKeyIADVPOFRSKCHOP-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.54
Rot. Bonds5

About 4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide

4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide (PubChem CID 4173331) has the molecular formula C14H12N4O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide
PubChem CID4173331
Molecular FormulaC14H12N4O4S
Molecular Weight332.34 g/mol
Exact Mass332.06
IUPAC Name4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide
SMILESO=C(CSc1ccccn1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N4O4S/c19-12(9-23-13-3-1-2-8-15-13)16-17-14(20)10-4-6-11(7-5-10)18(21)22/h1-8H,9H2,(H,16,19)(H,17,20)
InChIKeyIADVPOFRSKCHOP-UHFFFAOYSA-N
XLogP1.54
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 4832063
N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 18077302
4-nitro-N'-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide
CID 46661780
4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 3388381
4-nitro-N'-[2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetyl]benzohydrazide
CID 172877530
N'-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-nitrobenzohydrazide
CID 41424822
4-nitro-N'-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 3572519
4-hydroxy-4-(4-nitrophenyl)-3-(pyridin-2-ylsulfanylmethyl)butan-2-one
CID 101264509
2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 35929032
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N'-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]-4-nitrobenzohydrazide
CID 46663645

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide?
The IUPAC name of 4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide (CID 4173331) is 4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide.
What is the SMILES notation for 4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide?
The canonical SMILES for 4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide is O=C(CSc1ccccn1)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide?
The InChIKey is IADVPOFRSKCHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S/c19-12(9-23-13-3-1-2-8-15-13)16-17-14(20)10-4-6-11(7-5-10)18(21)22/h1-8H,9H2,(H,16,19)(H,17,20).
What are the key properties of 4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide?
4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide has a molecular weight of 332.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide is sourced from PubChem (CID 4173331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).