N'-(benzenesulfonyl)-3-nitrobenzohydrazide

C13H11N3O5S — CID 3094794

IUPACN'-(benzenesulfonyl)-3-nitrobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O5S/c17-13(10-5-4-6-11(9-10)16(18)19)14-15-22(20,21)12-7-2-1-3-8-12/h1-9,15H,(H,14,17)
InChIKeyNCFHNZRZUXCQCE-UHFFFAOYSA-N
MW321.31 g/mol
LogP1.22
Rot. Bonds5

About N'-(benzenesulfonyl)-3-nitrobenzohydrazide

N'-(benzenesulfonyl)-3-nitrobenzohydrazide (PubChem CID 3094794) has the molecular formula C13H11N3O5S and a molecular weight of 321.31 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-nitrobenzohydrazide
PubChem CID3094794
Molecular FormulaC13H11N3O5S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC NameN'-(benzenesulfonyl)-3-nitrobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O5S/c17-13(10-5-4-6-11(9-10)16(18)19)14-15-22(20,21)12-7-2-1-3-8-12/h1-9,15H,(H,14,17)
InChIKeyNCFHNZRZUXCQCE-UHFFFAOYSA-N
XLogP1.22
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.22
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

3-Nitrobenzohydrazide
CID 3291498
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
N-[3-(aminosulfonyl)phenyl]-3-nitrobenzamide
CID 2885800
N-Benzoyl-2-nitrobenzenesulfonamide
CID 975306
N'-(benzenesulfonyl)-4-nitrobenzohydrazide
CID 3102012
2-methyl-N'-(3-nitrobenzoyl)benzohydrazide
CID 3107366
3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide
CID 762361
3-bromo-N'-[(2-nitrophenyl)sulfonyl]benzohydrazide
CID 1016031
3-chloro-N'-[(2-nitrophenyl)sulfonyl]benzohydrazide
CID 3288552
2-nitro-N'-{2-nitrobenzoyl}benzenesulfonohydrazide
CID 3435810

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-nitrobenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-nitrobenzohydrazide (CID 3094794) is N'-(benzenesulfonyl)-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-nitrobenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-nitrobenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-nitrobenzohydrazide?
The InChIKey is NCFHNZRZUXCQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S/c17-13(10-5-4-6-11(9-10)16(18)19)14-15-22(20,21)12-7-2-1-3-8-12/h1-9,15H,(H,14,17).
What are the key properties of N'-(benzenesulfonyl)-3-nitrobenzohydrazide?
N'-(benzenesulfonyl)-3-nitrobenzohydrazide has a molecular weight of 321.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 3094794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).