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

C15H15N3O6S — CID 1129584

IUPAC2-(4-methoxyphenyl)-N'-(2-nitrophenyl)sulfonylacetohydrazide
SMILESCOc1ccc(CC(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O6S/c1-24-12-8-6-11(7-9-12)10-15(19)16-17-25(22,23)14-5-3-2-4-13(14)18(20)21/h2-9,17H,10H2,1H3,(H,16,19)
InChIKeyRIQPCNUETSSUSU-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.16
Rot. Bonds7

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

2-(4-methoxyphenyl)-N'-(2-nitrophenyl)sulfonylacetohydrazide (PubChem CID 1129584) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N'-(2-nitrophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N'-(2-nitrophenyl)sulfonylacetohydrazide
PubChem CID1129584
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name2-(4-methoxyphenyl)-N'-(2-nitrophenyl)sulfonylacetohydrazide
SMILESCOc1ccc(CC(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O6S/c1-24-12-8-6-11(7-9-12)10-15(19)16-17-25(22,23)14-5-3-2-4-13(14)18(20)21/h2-9,17H,10H2,1H3,(H,16,19)
InChIKeyRIQPCNUETSSUSU-UHFFFAOYSA-N
XLogP1.16
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.16
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N'-(2-nitrophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(4-methoxyphenyl)-N'-(2-nitrophenyl)sulfonylacetohydrazide (CID 1129584) is 2-(4-methoxyphenyl)-N'-(2-nitrophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N'-(2-nitrophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(4-methoxyphenyl)-N'-(2-nitrophenyl)sulfonylacetohydrazide is COc1ccc(CC(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N'-(2-nitrophenyl)sulfonylacetohydrazide?
The InChIKey is RIQPCNUETSSUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c1-24-12-8-6-11(7-9-12)10-15(19)16-17-25(22,23)14-5-3-2-4-13(14)18(20)21/h2-9,17H,10H2,1H3,(H,16,19).
What are the key properties of 2-(4-methoxyphenyl)-N'-(2-nitrophenyl)sulfonylacetohydrazide?
2-(4-methoxyphenyl)-N'-(2-nitrophenyl)sulfonylacetohydrazide has a molecular weight of 365.37 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N'-(2-nitrophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 1129584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).