ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide

C22H20N2O4S — CID 144576091

IUPACethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide
SMILESCC.NS(=O)(=O)c1cccc2c1C(=O)C=C(Nc1ccc3ccccc3c1)C2=O
InChIInChI=1S/C20H14N2O4S.C2H6/c21-27(25,26)18-7-3-6-15-19(18)17(23)11-16(20(15)24)22-14-9-8-12-4-1-2-5-13(12)10-14;1-2/h1-11,22H,(H2,21,25,26);1-2H3
InChIKeyBDQRIBGURSOIPM-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.89
Rot. Bonds3

About ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide

ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide (PubChem CID 144576091) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide.

Molecular Properties

Compound Nameethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide
PubChem CID144576091
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Nameethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide
SMILESCC.NS(=O)(=O)c1cccc2c1C(=O)C=C(Nc1ccc3ccccc3c1)C2=O
InChIInChI=1S/C20H14N2O4S.C2H6/c21-27(25,26)18-7-3-6-15-19(18)17(23)11-16(20(15)24)22-14-9-8-12-4-1-2-5-13(12)10-14;1-2/h1-11,22H,(H2,21,25,26);1-2H3
InChIKeyBDQRIBGURSOIPM-UHFFFAOYSA-N
XLogP3.89
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-anilino-5,8-dioxonaphthalene-1-sulfonamide
CID 71726834
5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione
CID 86231419
5,8-dioxo-6-[2-(thian-4-yl)anilino]naphthalene-1-sulfonamide
CID 118318715
2-(3-methylanilino)naphthalene-1,4-dione
CID 10515679
2-(3-anilinoanilino)naphthalene-1,4-dione
CID 35206766
6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide
CID 123990950
1-amino-4-(naphthalen-2-ylamino)anthracene-9,10-dione
CID 13162753
N-[3-(4-acetylanilino)-4-oxonaphthalen-1-ylidene]naphthalene-2-sulfonamide
CID 174136542
(6-anilino-5,8-dioxonaphthalen-1-yl) acetate
CID 170895334
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
2-anilino-8-hydroxynaphthalene-1,4-dione
CID 73355164
3-[(1,4-dioxonaphthalen-2-yl)amino]benzonitrile
CID 10564229

Frequently Asked Questions

What is the IUPAC name of ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide?
The IUPAC name of ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide (CID 144576091) is ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide.
What is the SMILES notation for ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide?
The canonical SMILES for ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide is CC.NS(=O)(=O)c1cccc2c1C(=O)C=C(Nc1ccc3ccccc3c1)C2=O.
What is the InChIKey of ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide?
The InChIKey is BDQRIBGURSOIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4S.C2H6/c21-27(25,26)18-7-3-6-15-19(18)17(23)11-16(20(15)24)22-14-9-8-12-4-1-2-5-13(12)10-14;1-2/h1-11,22H,(H2,21,25,26);1-2H3.
What are the key properties of ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide?
ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide has a molecular weight of 408.48 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide is sourced from PubChem (CID 144576091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).