N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide

C15H12N2O4S — CID 139789292

IUPACN-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H12N2O4S/c1-22(20,21)17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,16H2,1H3
InChIKeyJIIKNXYWHUMLOF-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.42
Rot. Bonds2

About N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide

N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide (PubChem CID 139789292) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide
PubChem CID139789292
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC NameN-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H12N2O4S/c1-22(20,21)17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,16H2,1H3
InChIKeyJIIKNXYWHUMLOF-UHFFFAOYSA-N
XLogP1.42
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-amino-4-anilinoanthracene-9,10-dione
CID 20419
CID 157497888
CID 157497888
1-amino-4-(2,4-dimethylanilino)anthracene-9,10-dione
CID 12609645
1-(4-amino-9,10-dioxoanthracen-1-yl)-4-methylanthracene-9,10-dione;ethane
CID 90789335
2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide
CID 10402224
2-[[(4-amino-9,10-dioxoanthracen-1-yl)amino]methylidene]propanedinitrile
CID 2737762
1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione
CID 13162753
3-[(4-amino-9,10-dioxoanthracen-1-yl)amino]propyl-(4-bromobutyl)-methylazanium
CID 159858752
1,4-bis(1-aminoethylamino)anthracene-9,10-dione
CID 68952236
N-[4-[(4-amino-9,10-dioxoanthracen-1-yl)amino]cyclohexyl]acetamide
CID 154286622
1-[(5-amino-9,10-dioxoanthracen-1-yl)amino]-4-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
CID 6165091
3-[(4-amino-9,10-dioxoanthracen-1-yl)amino]propyl-(3-bromopropyl)-dimethylazanium bromide
CID 162322629

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide?
The IUPAC name of N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide (CID 139789292) is N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide?
The canonical SMILES for N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide?
The InChIKey is JIIKNXYWHUMLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-22(20,21)17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,16H2,1H3.
What are the key properties of N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide?
N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide has a molecular weight of 316.34 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide is sourced from PubChem (CID 139789292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).