4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide

C13H10N4O7S — CID 3089471

IUPAC4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10N4O7S/c18-13(9-1-3-10(4-2-9)16(19)20)14-15-25(23,24)12-7-5-11(6-8-12)17(21)22/h1-8,15H,(H,14,18)
InChIKeyANOUKDDKKWEMBP-UHFFFAOYSA-N
MW366.31 g/mol
LogP1.13
Rot. Bonds6

About 4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide

4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide (PubChem CID 3089471) has the molecular formula C13H10N4O7S and a molecular weight of 366.31 g/mol. Its IUPAC name is 4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide
PubChem CID3089471
Molecular FormulaC13H10N4O7S
Molecular Weight366.31 g/mol
Exact Mass366.03
IUPAC Name4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10N4O7S/c18-13(9-1-3-10(4-2-9)16(19)20)14-15-25(23,24)12-7-5-11(6-8-12)17(21)22/h1-8,15H,(H,14,18)
InChIKeyANOUKDDKKWEMBP-UHFFFAOYSA-N
XLogP1.13
TPSA161.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide 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-Benzenesulfonylamino-N-hydroxy-benzamide
CID 44328873
1,2-Bis(4-nitrobenzoyl)hydrazine
CID 3373596
N-(4-nitrobenzoyl)-N'-phenylhydrazine
CID 3401606
1-(4-Acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea
CID 2207232
4-[2-(2,4-Difluorobenzoyl)hydrazino]benzenesulfonamide
CID 2811806
N'-[(4-fluorophenyl)sulfonyl]-4-nitrobenzohydrazide
CID 3113467
3-Nitro-benzoic acid N'-(1,1-dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-hydrazide
CID 3137786
(E)-N-Hydroxy-3-[4-(4-nitro-benzenesulfonylamino)-phenyl]-acrylamide
CID 22986781
N-Benzoyl-2-nitrobenzenesulfonamide
CID 975306
N'-(benzenesulfonyl)-4-nitrobenzohydrazide
CID 3102012
N'-benzoyl-4-nitrobenzohydrazide
CID 3696545
N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide
CID 11439243

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide?
The IUPAC name of 4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide (CID 3089471) is 4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide?
The InChIKey is ANOUKDDKKWEMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O7S/c18-13(9-1-3-10(4-2-9)16(19)20)14-15-25(23,24)12-7-5-11(6-8-12)17(21)22/h1-8,15H,(H,14,18).
What are the key properties of 4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide?
4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide has a molecular weight of 366.31 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-(4-nitrophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 3089471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).