2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide

C13H10N4O7S — CID 3435810

IUPAC2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N4O7S/c18-13(9-5-1-2-6-10(9)16(19)20)14-15-25(23,24)12-8-4-3-7-11(12)17(21)22/h1-8,15H,(H,14,18)
InChIKeyKSIHCILAHOQHHS-UHFFFAOYSA-N
MW366.31 g/mol
LogP1.13
Rot. Bonds6

About 2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide

2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide (PubChem CID 3435810) has the molecular formula C13H10N4O7S and a molecular weight of 366.31 g/mol. Its IUPAC name is 2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide
PubChem CID3435810
Molecular FormulaC13H10N4O7S
Molecular Weight366.31 g/mol
Exact Mass366.03
IUPAC Name2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N4O7S/c18-13(9-5-1-2-6-10(9)16(19)20)14-15-25(23,24)12-8-4-3-7-11(12)17(21)22/h1-8,15H,(H,14,18)
InChIKeyKSIHCILAHOQHHS-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'}

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Related Compounds

(2-nitrophenyl)-N-[(2-nitrophenyl)carbonylamino]carboxamide
CID 3098256
N'-[(4-fluorophenyl)sulfonyl]-4-nitrobenzohydrazide
CID 3113467
N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 268522
N-Benzoyl-2-nitrobenzenesulfonamide
CID 975306
N'-(benzenesulfonyl)-4-nitrobenzohydrazide
CID 3102012
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
N'-(2-nitrophenyl)sulfonylbenzohydrazide
CID 775940
N'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide
CID 808014
2-chloro-N'-(2-nitrophenyl)sulfonylbenzohydrazide
CID 1129578
3-nitro-N'-(phenylsulfonyl)benzohydrazide
CID 3094794

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The IUPAC name of 2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide (CID 3435810) is 2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The InChIKey is KSIHCILAHOQHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O7S/c18-13(9-5-1-2-6-10(9)16(19)20)14-15-25(23,24)12-8-4-3-7-11(12)17(21)22/h1-8,15H,(H,14,18).
What are the key properties of 2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
2-nitro-N'-(2-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 2-nitro-N'-(2-nitrophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 3435810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).