3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide

C13H11N3O6S — CID 1129573

IUPAC3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1
InChIInChI=1S/C13H11N3O6S/c17-11-3-1-2-9(8-11)13(18)14-15-23(21,22)12-6-4-10(5-7-12)16(19)20/h1-8,15,17H,(H,14,18)
InChIKeyHYFMXKGGHHSECO-UHFFFAOYSA-N
MW337.31 g/mol
LogP0.92
Rot. Bonds5

About 3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide

3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide (PubChem CID 1129573) has the molecular formula C13H11N3O6S and a molecular weight of 337.31 g/mol. Its IUPAC name is 3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide
PubChem CID1129573
Molecular FormulaC13H11N3O6S
Molecular Weight337.31 g/mol
Exact Mass337.04
IUPAC Name3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1
InChIInChI=1S/C13H11N3O6S/c17-11-3-1-2-9(8-11)13(18)14-15-23(21,22)12-6-4-10(5-7-12)16(19)20/h1-8,15,17H,(H,14,18)
InChIKeyHYFMXKGGHHSECO-UHFFFAOYSA-N
XLogP0.92
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 19167027
[(4-nitrophenyl)sulfonylamino]carbamic acid
CID 170161166
N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide
CID 17368436
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
CID 108567195
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4729926
N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide
CID 3409040
3-hydroxy-N'-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide
CID 40953039
2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 19166679
2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide
CID 807989
N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 55704286
N'-(benzenesulfonyl)-3-bromobenzohydrazide
CID 1035450
N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4730103

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide?
The IUPAC name of 3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide (CID 1129573) is 3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide?
The InChIKey is HYFMXKGGHHSECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O6S/c17-11-3-1-2-9(8-11)13(18)14-15-23(21,22)12-6-4-10(5-7-12)16(19)20/h1-8,15,17H,(H,14,18).
What are the key properties of 3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide?
3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide has a molecular weight of 337.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 1129573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).