2-nitro-10H-acridin-9-one;sulfuryl dichloride

C13H8Cl2N2O5S — CID 159861980

IUPAC2-nitro-10H-acridin-9-one;sulfuryl dichloride
SMILESO=S(=O)(Cl)Cl.O=c1c2ccccc2[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H8N2O3.Cl2O2S/c16-13-9-3-1-2-4-11(9)14-12-6-5-8(15(17)18)7-10(12)13;1-5(2,3)4/h1-7H,(H,14,16);
InChIKeyNRGLMQVYOAVGNG-UHFFFAOYSA-N
MW375.19 g/mol
LogP3.30
Rot. Bonds1

About 2-nitro-10H-acridin-9-one;sulfuryl dichloride

2-nitro-10H-acridin-9-one;sulfuryl dichloride (PubChem CID 159861980) has the molecular formula C13H8Cl2N2O5S and a molecular weight of 375.19 g/mol. Its IUPAC name is 2-nitro-10H-acridin-9-one;sulfuryl dichloride.

Molecular Properties

Compound Name2-nitro-10H-acridin-9-one;sulfuryl dichloride
PubChem CID159861980
Molecular FormulaC13H8Cl2N2O5S
Molecular Weight375.19 g/mol
Exact Mass373.95
IUPAC Name2-nitro-10H-acridin-9-one;sulfuryl dichloride
SMILESO=S(=O)(Cl)Cl.O=c1c2ccccc2[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H8N2O3.Cl2O2S/c16-13-9-3-1-2-4-11(9)14-12-6-5-8(15(17)18)7-10(12)13;1-5(2,3)4/h1-7H,(H,14,16);
InChIKeyNRGLMQVYOAVGNG-UHFFFAOYSA-N
XLogP3.30
TPSA110.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-oxo-10H-acridine-2-sulfonyl chloride
CID 59000158
2-methyl-6-nitro-10H-acridin-9-one
CID 154179171
2-nitro-7-phenylmethoxy-10H-acridin-9-one
CID 66572851
9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one
CID 11695086
7-nitro-9-oxo-10H-acridine-4-carboxylic acid
CID 542089
9H-carbazole;sulfuryl dichloride
CID 158008992
10H-acridin-9-one
CID 22753806
2-nitrothioxanthen-9-one
CID 12754955
1-chloro-6-nitro-9H-carbazole
CID 163637234
3-methyl-6-nitro-9H-carbazole
CID 58160212
6-nitro-9H-carbazol-3-amine
CID 175861785
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428

Frequently Asked Questions

What is the IUPAC name of 2-nitro-10H-acridin-9-one;sulfuryl dichloride?
The IUPAC name of 2-nitro-10H-acridin-9-one;sulfuryl dichloride (CID 159861980) is 2-nitro-10H-acridin-9-one;sulfuryl dichloride.
What is the SMILES notation for 2-nitro-10H-acridin-9-one;sulfuryl dichloride?
The canonical SMILES for 2-nitro-10H-acridin-9-one;sulfuryl dichloride is O=S(=O)(Cl)Cl.O=c1c2ccccc2[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-nitro-10H-acridin-9-one;sulfuryl dichloride?
The InChIKey is NRGLMQVYOAVGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3.Cl2O2S/c16-13-9-3-1-2-4-11(9)14-12-6-5-8(15(17)18)7-10(12)13;1-5(2,3)4/h1-7H,(H,14,16);.
What are the key properties of 2-nitro-10H-acridin-9-one;sulfuryl dichloride?
2-nitro-10H-acridin-9-one;sulfuryl dichloride has a molecular weight of 375.19 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-10H-acridin-9-one;sulfuryl dichloride is sourced from PubChem (CID 159861980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).