N'-(2-nitrophenyl)sulfonylbenzohydrazide

C13H11N3O5S — CID 775940

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

About N'-(2-nitrophenyl)sulfonylbenzohydrazide

N'-(2-nitrophenyl)sulfonylbenzohydrazide (PubChem CID 775940) has the molecular formula C13H11N3O5S and a molecular weight of 321.31 g/mol. Its IUPAC name is N'-(2-nitrophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-nitrophenyl)sulfonylbenzohydrazide
PubChem CID775940
Molecular FormulaC13H11N3O5S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC NameN'-(2-nitrophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C13H11N3O5S/c17-13(10-6-2-1-3-7-10)14-15-22(20,21)12-9-5-4-8-11(12)16(18)19/h1-9,15H,(H,14,17)
InChIKeyMEYVXTCCFNUSOX-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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Frequently Asked Questions

What is the IUPAC name of N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The IUPAC name of N'-(2-nitrophenyl)sulfonylbenzohydrazide (CID 775940) is N'-(2-nitrophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The canonical SMILES for N'-(2-nitrophenyl)sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The InChIKey is MEYVXTCCFNUSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S/c17-13(10-6-2-1-3-7-10)14-15-22(20,21)12-9-5-4-8-11(12)16(18)19/h1-9,15H,(H,14,17).
What are the key properties of N'-(2-nitrophenyl)sulfonylbenzohydrazide?
N'-(2-nitrophenyl)sulfonylbenzohydrazide 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'-(2-nitrophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 775940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).