5,5-dioxodibenzothiophen-2-amine

C12H9NO2S — CID 14918529

IUPAC5,5-dioxodibenzothiophen-2-amine
SMILESNc1ccc2c(c1)-c1ccccc1S2(=O)=O
InChIInChI=1S/C12H9NO2S/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)16(12,14)15/h1-7H,13H2
InChIKeyJPWDVOFSOTVCEL-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.08
Rot. Bonds

About 5,5-dioxodibenzothiophen-2-amine

5,5-dioxodibenzothiophen-2-amine (PubChem CID 14918529) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is 5,5-dioxodibenzothiophen-2-amine.

Molecular Properties

Compound Name5,5-dioxodibenzothiophen-2-amine
PubChem CID14918529
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Name5,5-dioxodibenzothiophen-2-amine
SMILESNc1ccc2c(c1)-c1ccccc1S2(=O)=O
InChIInChI=1S/C12H9NO2S/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)16(12,14)15/h1-7H,13H2
InChIKeyJPWDVOFSOTVCEL-UHFFFAOYSA-N
XLogP2.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Methanesulfonyl-3-methylaniline
CID 825918
N-(5,5-Dioxo-5H-5lambda*6*-dibenzothiophen-2-yl)-acetamide
CID 14918530
3,7-Diaminodibenzothiophene-5,5-dioxide
CID 80412
2-Dibenzothiophenamine
CID 298442
4-(Indane-1-sulfonyl)-phenylamine
CID 44401621
4-((4-Methylphenyl)sulfonyl)aniline
CID 363136
6-Amino-2,3-dihydro-1lambda6-benzothiophene-1,1-dione
CID 12285325
3,7-Dibenzothiophenediamine, 2,8-dimethyl-, 5,5-dioxide
CID 4616894
2-Nitro-dibenzothiophene 5,5-dioxide
CID 363889
N-(5,5-Dioxo-5H-5lambda*6*-dibenzothiophen-2-yl)-formamide
CID 10244297
2,3-Dihydro-1-benzothiophen-5-amine 1,1-dioxide
CID 44122260
N-(5,5-Dioxo-5H-5lambda*6*-dibenzothiophen-2-yl)-propionamide
CID 9971294

Frequently Asked Questions

What is the IUPAC name of 5,5-dioxodibenzothiophen-2-amine?
The IUPAC name of 5,5-dioxodibenzothiophen-2-amine (CID 14918529) is 5,5-dioxodibenzothiophen-2-amine.
What is the SMILES notation for 5,5-dioxodibenzothiophen-2-amine?
The canonical SMILES for 5,5-dioxodibenzothiophen-2-amine is Nc1ccc2c(c1)-c1ccccc1S2(=O)=O.
What is the InChIKey of 5,5-dioxodibenzothiophen-2-amine?
The InChIKey is JPWDVOFSOTVCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)16(12,14)15/h1-7H,13H2.
What are the key properties of 5,5-dioxodibenzothiophen-2-amine?
5,5-dioxodibenzothiophen-2-amine has a molecular weight of 231.28 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxodibenzothiophen-2-amine is sourced from PubChem (CID 14918529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).