6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide

C20H14N2O4S — CID 123990950

IUPAC6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1C(=O)C/C(=N\c1ccc3ccccc3c1)C2=O
InChIInChI=1S/C20H14N2O4S/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/h1-10H,11H2,(H2,21,25,26)/b22-16+
InChIKeyZFCWRMIXCNHFKE-CJLVFECKSA-N
MW378.41 g/mol
LogP3.03
Rot. Bonds2

About 6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide

6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide (PubChem CID 123990950) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide.

Molecular Properties

Compound Name6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide
PubChem CID123990950
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC Name6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1C(=O)C/C(=N\c1ccc3ccccc3c1)C2=O
InChIInChI=1S/C20H14N2O4S/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/h1-10H,11H2,(H2,21,25,26)/b22-16+
InChIKeyZFCWRMIXCNHFKE-CJLVFECKSA-N
XLogP3.03
TPSA106.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5,8-dioxo-6-[(5-piperidin-4-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide
CID 123143505
5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide
CID 123141368
6-[[4-(oxan-4-yl)-3-pyridinyl]imino]-5,8-dioxonaphthalene-1-sulfonamide
CID 123793448
ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide
CID 144576091
2-(4-chlorophenyl)iminonaphthalene-1,4-dione
CID 54237267
(2Z)-2-(1-hydroxybutylidene)-3-naphthalen-2-yliminocyclohexan-1-one
CID 171981957
(2E)-2-(1-hydroxybutylidene)-3-naphthalen-2-ylimino-5-phenylcyclohexan-1-one
CID 135488377
2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide
CID 142050883
azane;naphthalene-1-sulfonamide
CID 174765300
2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide
CID 142784698
acridine-1-sulfonamide;methane
CID 175223861
3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266097

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide?
The IUPAC name of 6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide (CID 123990950) is 6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide.
What is the SMILES notation for 6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide?
The canonical SMILES for 6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide is NS(=O)(=O)c1cccc2c1C(=O)C/C(=N\c1ccc3ccccc3c1)C2=O.
What is the InChIKey of 6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide?
The InChIKey is ZFCWRMIXCNHFKE-CJLVFECKSA-N. The full InChI is InChI=1S/C20H14N2O4S/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/h1-10H,11H2,(H2,21,25,26)/b22-16+.
What are the key properties of 6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide?
6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide has a molecular weight of 378.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide is sourced from PubChem (CID 123990950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).