2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide

C14H13N3O3S — CID 63581022

IUPAC2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide
SMILESNNC(=O)C(Sc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C14H13N3O3S/c15-16-14(18)13(10-4-2-1-3-5-10)21-12-8-6-11(7-9-12)17(19)20/h1-9,13H,15H2,(H,16,18)
InChIKeyZCRAUDPCSNDVJA-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.42
Rot. Bonds5

About 2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide

2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide (PubChem CID 63581022) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide
PubChem CID63581022
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide
SMILESNNC(=O)C(Sc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C14H13N3O3S/c15-16-14(18)13(10-4-2-1-3-5-10)21-12-8-6-11(7-9-12)17(19)20/h1-9,13H,15H2,(H,16,18)
InChIKeyZCRAUDPCSNDVJA-UHFFFAOYSA-N
XLogP2.42
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide
CID 63580914
1-benzhydrylsulfanyl-4-nitrobenzene
CID 13441774
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 7183598
N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 23100207
N-[4-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 21170234
(2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1343901
N-[4-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 23101156
N-[4-[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 21169110
2-(4-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)-2-phenylacetamide
CID 22780313
3-(4-nitrophenyl)sulfanyl-3-phenylpropan-1-ol
CID 170764570
N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 55478338
2-(3-aminophenyl)sulfanyl-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide
CID 18894428

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide?
The IUPAC name of 2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide (CID 63581022) is 2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide.
What is the SMILES notation for 2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide?
The canonical SMILES for 2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide is NNC(=O)C(Sc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide?
The InChIKey is ZCRAUDPCSNDVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c15-16-14(18)13(10-4-2-1-3-5-10)21-12-8-6-11(7-9-12)17(19)20/h1-9,13H,15H2,(H,16,18).
What are the key properties of 2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide?
2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide has a molecular weight of 303.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide is sourced from PubChem (CID 63581022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).