naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc

C19H13N2O2SZn- — CID 22974317

IUPACnaphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc
SMILESO=S(=O)([N-]c1cccc2cccnc12)c1cccc2ccccc12.[Zn]
InChIInChI=1S/C19H13N2O2S.Zn/c22-24(23,18-12-4-7-14-6-1-2-10-16(14)18)21-17-11-3-8-15-9-5-13-20-19(15)17;/h1-13H;/q-1;
InChIKeyAATXZFAMHBNTGI-UHFFFAOYSA-N
MW398.78 g/mol
LogP4.78
Rot. Bonds3

About naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc

naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc (PubChem CID 22974317) has the molecular formula C19H13N2O2SZn- and a molecular weight of 398.78 g/mol. Its IUPAC name is naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc.

Molecular Properties

Compound Namenaphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc
PubChem CID22974317
Molecular FormulaC19H13N2O2SZn-
Molecular Weight398.78 g/mol
Exact Mass397.00
IUPAC Namenaphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc
SMILESO=S(=O)([N-]c1cccc2cccnc12)c1cccc2ccccc12.[Zn]
InChIInChI=1S/C19H13N2O2S.Zn/c22-24(23,18-12-4-7-14-6-1-2-10-16(14)18)21-17-11-3-8-15-9-5-13-20-19(15)17;/h1-13H;/q-1;
InChIKeyAATXZFAMHBNTGI-UHFFFAOYSA-N
XLogP4.78
TPSA61.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.78
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methylsulfonyl(quinolin-8-yl)azanide
CID 25244687
cobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide)
CID 139174844
copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide)
CID 139069114
(5-fluoro-2-methylphenyl)-quinolin-8-ylsulfonylazanide
CID 5176779
benzo[h]quinolin-10-yl(pyridin-2-ylsulfonyl)azanide;fluoropalladium(1+)
CID 58174325
di(quinolin-8-yl)azanide;titanium
CID 20827876
N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide
CID 16759550
N-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc
CID 175008828
benzo[h]quinoline;naphthalene
CID 175017782
CID 87856781
CID 87856781
2-quinolin-8-ylbenzenesulfonyl chloride
CID 139939947

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc?
The IUPAC name of naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc (CID 22974317) is naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc.
What is the SMILES notation for naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc?
The canonical SMILES for naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc is O=S(=O)([N-]c1cccc2cccnc12)c1cccc2ccccc12.[Zn].
What is the InChIKey of naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc?
The InChIKey is AATXZFAMHBNTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N2O2S.Zn/c22-24(23,18-12-4-7-14-6-1-2-10-16(14)18)21-17-11-3-8-15-9-5-13-20-19(15)17;/h1-13H;/q-1;.
What are the key properties of naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc?
naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc has a molecular weight of 398.78 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc is sourced from PubChem (CID 22974317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).