9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide

C20H14N2O4S — CID 2862735

IUPAC9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide
SMILESO=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)NNc1ccccc1
InChIInChI=1S/C20H14N2O4S/c23-19-14-9-4-5-10-15(14)20(24)18-16(19)11-6-12-17(18)27(25,26)22-21-13-7-2-1-3-8-13/h1-12,21-22H
InChIKeyFLMTWFBEVSRWLB-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.77
Rot. Bonds4

About 9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide

9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide (PubChem CID 2862735) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide.

Molecular Properties

Compound Name9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide
PubChem CID2862735
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC Name9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide
SMILESO=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)NNc1ccccc1
InChIInChI=1S/C20H14N2O4S/c23-19-14-9-4-5-10-15(14)20(24)18-16(19)11-6-12-17(18)27(25,26)22-21-13-7-2-1-3-8-13/h1-12,21-22H
InChIKeyFLMTWFBEVSRWLB-UHFFFAOYSA-N
XLogP2.77
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', '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 9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide?
The IUPAC name of 9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide (CID 2862735) is 9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide.
What is the SMILES notation for 9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide?
The canonical SMILES for 9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide is O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)NNc1ccccc1.
What is the InChIKey of 9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide?
The InChIKey is FLMTWFBEVSRWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4S/c23-19-14-9-4-5-10-15(14)20(24)18-16(19)11-6-12-17(18)27(25,26)22-21-13-7-2-1-3-8-13/h1-12,21-22H.
What are the key properties of 9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide?
9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide has a molecular weight of 378.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide is sourced from PubChem (CID 2862735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).