2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide

C14H12N4O8S — CID 19166679

IUPAC2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N4O8S/c19-14(9-26-12-5-1-10(2-6-12)17(20)21)15-16-27(24,25)13-7-3-11(4-8-13)18(22)23/h1-8,16H,9H2,(H,15,19)
InChIKeyIYRFJPBMIPNCIT-UHFFFAOYSA-N
MW396.34 g/mol
LogP0.89
Rot. Bonds8

About 2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide

2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide (PubChem CID 19166679) has the molecular formula C14H12N4O8S and a molecular weight of 396.34 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
PubChem CID19166679
Molecular FormulaC14H12N4O8S
Molecular Weight396.34 g/mol
Exact Mass396.04
IUPAC Name2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N4O8S/c19-14(9-26-12-5-1-10(2-6-12)17(20)21)15-16-27(24,25)13-7-3-11(4-8-13)18(22)23/h1-8,16H,9H2,(H,15,19)
InChIKeyIYRFJPBMIPNCIT-UHFFFAOYSA-N
XLogP0.89
TPSA170.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
[(4-nitrophenyl)sulfonylamino]carbamic acid
CID 170161166
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide
CID 905489
2-(4-nitrophenoxy)-N'-phenylacetohydrazide
CID 739659
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
CID 26982271
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide (CID 19166679) is 2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide is O=C(COc1ccc([N+](=O)[O-])cc1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide?
The InChIKey is IYRFJPBMIPNCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O8S/c19-14(9-26-12-5-1-10(2-6-12)17(20)21)15-16-27(24,25)13-7-3-11(4-8-13)18(22)23/h1-8,16H,9H2,(H,15,19).
What are the key properties of 2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide?
2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide has a molecular weight of 396.34 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 19166679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).