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

C16H17N3O6S — CID 3374896

IUPAC2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide
SMILESCCc1ccc(OCC(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H17N3O6S/c1-2-12-7-9-13(10-8-12)25-11-16(20)17-18-26(23,24)15-6-4-3-5-14(15)19(21)22/h3-10,18H,2,11H2,1H3,(H,17,20)
InChIKeyDIXYBJKPPBOXTL-UHFFFAOYSA-N
MW379.39 g/mol
LogP1.55
Rot. Bonds8

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

2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide (PubChem CID 3374896) has the molecular formula C16H17N3O6S and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide
PubChem CID3374896
Molecular FormulaC16H17N3O6S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide
SMILESCCc1ccc(OCC(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H17N3O6S/c1-2-12-7-9-13(10-8-12)25-11-16(20)17-18-26(23,24)15-6-4-3-5-14(15)19(21)22/h3-10,18H,2,11H2,1H3,(H,17,20)
InChIKeyDIXYBJKPPBOXTL-UHFFFAOYSA-N
XLogP1.55
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
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

2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide
CID 8614803
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893
N'-(3,4-difluorophenyl)sulfonyl-2-(4-ethylphenoxy)acetohydrazide
CID 8614849
2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 19166679
N-[1-(4-ethylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 22200976
N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
CID 9236694
2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide
CID 1009772
4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 78780603
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide
CID 8615109
N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 26949935
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide
CID 2766093

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide (CID 3374896) is 2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide is CCc1ccc(OCC(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide?
The InChIKey is DIXYBJKPPBOXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S/c1-2-12-7-9-13(10-8-12)25-11-16(20)17-18-26(23,24)15-6-4-3-5-14(15)19(21)22/h3-10,18H,2,11H2,1H3,(H,17,20).
What are the key properties of 2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide?
2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide has a molecular weight of 379.39 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 3374896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).