hexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid)

C80H66K6N8O48S16 — CID 173428765

IUPAChexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid)
SMILESO=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)([O-])N(c1ccc2ccccc2c1)S(=O)(=O)[O-].O=S(=O)([O-])N(c1ccc2ccccc2c1)S(=O)(=O)[O-].O=S(=O)([O-])N(c1ccc2ccccc2c1)S(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/8C10H9NO6S2.6K/c8*12-18(13,14)11(19(15,16)17)10-6-5-8-3-1-2-4-9(8)7-10;;;;;;/h8*1-7H,(H,12,13,14)(H,15,16,17);;;;;;/q;;;;;;;;6*+1/p-6
InChIKeyRDNHLVFPDAFUPB-UHFFFAOYSA-H
MW2655.08 g/mol
LogP-10.02
Rot. Bonds24

About hexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid)

hexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid) (PubChem CID 173428765) has the molecular formula C80H66K6N8O48S16 and a molecular weight of 2655.08 g/mol. Its IUPAC name is hexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid).

Molecular Properties

Compound Namehexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid)
PubChem CID173428765
Molecular FormulaC80H66K6N8O48S16
Molecular Weight2655.08 g/mol
Exact Mass2651.63
IUPAC Namehexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid)
SMILESO=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)([O-])N(c1ccc2ccccc2c1)S(=O)(=O)[O-].O=S(=O)([O-])N(c1ccc2ccccc2c1)S(=O)(=O)[O-].O=S(=O)([O-])N(c1ccc2ccccc2c1)S(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/8C10H9NO6S2.6K/c8*12-18(13,14)11(19(15,16)17)10-6-5-8-3-1-2-4-9(8)7-10;;;;;;/h8*1-7H,(H,12,13,14)(H,15,16,17);;;;;;/q;;;;;;;;6*+1/p-6
InChIKeyRDNHLVFPDAFUPB-UHFFFAOYSA-H
XLogP-10.02
TPSA912.82 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds24
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002655.08
LogP ≤ 5-10.02
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[bis(methylsulfamoyl)amino]naphthalene
CID 141077953
naphthalene-2-sulfonic acid
CID 8420
dipotassium;naphthalene;sulfate
CID 159561982
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 88530425
CID 88530425
CID 87246277
CID 87246277
naphthalene;sulfuric acid
CID 69493753
Dispersing Agent NNO
CID 156594502
N-methyl-N-oxidonaphthalen-2-amine
CID 163543073
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
calcium;naphthalene;sulfate
CID 158920591
tetracene-2-sulfonic acid
CID 21483873

Frequently Asked Questions

What is the IUPAC name of hexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid)?
The IUPAC name of hexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid) (CID 173428765) is hexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid).
What is the SMILES notation for hexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid)?
The canonical SMILES for hexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid) is O=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)(O)N(c1ccc2ccccc2c1)S(=O)(=O)O.O=S(=O)([O-])N(c1ccc2ccccc2c1)S(=O)(=O)[O-].O=S(=O)([O-])N(c1ccc2ccccc2c1)S(=O)(=O)[O-].O=S(=O)([O-])N(c1ccc2ccccc2c1)S(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of hexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid)?
The InChIKey is RDNHLVFPDAFUPB-UHFFFAOYSA-H. The full InChI is InChI=1S/8C10H9NO6S2.6K/c8*12-18(13,14)11(19(15,16)17)10-6-5-8-3-1-2-4-9(8)7-10;;;;;;/h8*1-7H,(H,12,13,14)(H,15,16,17);;;;;;/q;;;;;;;;6*+1/p-6.
What are the key properties of hexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid)?
hexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid) has a molecular weight of 2655.08 g/mol, XLogP of -10.02, 24 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for hexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid) is sourced from PubChem (CID 173428765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).