dilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C28H36F6Li2N2O11S4 — CID 161037744

IUPACdilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCCC(C)c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(CC(C)c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1)C(=O)OCCOC.[Li+].[Li+]
InChIInChI=1S/C17H23F3NO7S2.C11H13F3NO4S2.2Li/c1-4-13(16(22)28-10-9-27-3)11-12(2)14-5-7-15(8-6-14)29(23,24)21-30(25,26)17(18,19)20;1-3-8(2)9-4-6-10(7-5-9)20(16,17)15-21(18,19)11(12,13)14;;/h5-8,12-13H,4,9-11H2,1-3H3;4-8H,3H2,1-2H3;;/q2*-1;2*+1
InChIKeyGDRXFLXWNQYLAZ-UHFFFAOYSA-N
MW832.74 g/mol
LogP0.43
Rot. Bonds16

About dilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide

dilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 161037744) has the molecular formula C28H36F6Li2N2O11S4 and a molecular weight of 832.74 g/mol. Its IUPAC name is dilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namedilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID161037744
Molecular FormulaC28H36F6Li2N2O11S4
Molecular Weight832.74 g/mol
Exact Mass832.14
IUPAC Namedilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCCC(C)c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(CC(C)c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1)C(=O)OCCOC.[Li+].[Li+]
InChIInChI=1S/C17H23F3NO7S2.C11H13F3NO4S2.2Li/c1-4-13(16(22)28-10-9-27-3)11-12(2)14-5-7-15(8-6-14)29(23,24)21-30(25,26)17(18,19)20;1-3-8(2)9-4-6-10(7-5-9)20(16,17)15-21(18,19)11(12,13)14;;/h5-8,12-13H,4,9-11H2,1-3H3;4-8H,3H2,1-2H3;;/q2*-1;2*+1
InChIKeyGDRXFLXWNQYLAZ-UHFFFAOYSA-N
XLogP0.43
TPSA200.29 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.74
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze dilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 155602041
[4-(1-propoxypropan-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 155765022
carbanylium;(4-propan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide
CID 158994806
[2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 58031038
butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate;methane
CID 159769667
4-butan-2-yl-N-(trifluoromethylsulfonyl)benzamide
CID 135209714
4-butan-2-ylbenzenesulfonic acid;2-(2-butan-2-yloxyethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol
CID 160658517
pentakis(2-methoxyethyl) 1-methylundecane-1,3,5,7,9-pentacarboxylate
CID 166057614
tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate
CID 59893070
[4-[3-(2,2-dimethylbutanoyloxy)propoxy]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 140789669
2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane
CID 160827307
tetramagnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1,2-dimethoxyethane);tetrachloride
CID 139051336

Frequently Asked Questions

What is the IUPAC name of dilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of dilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 161037744) is dilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for dilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for dilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide is CCC(C)c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(CC(C)c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1)C(=O)OCCOC.[Li+].[Li+].
What is the InChIKey of dilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is GDRXFLXWNQYLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3NO7S2.C11H13F3NO4S2.2Li/c1-4-13(16(22)28-10-9-27-3)11-12(2)14-5-7-15(8-6-14)29(23,24)21-30(25,26)17(18,19)20;1-3-8(2)9-4-6-10(7-5-9)20(16,17)15-21(18,19)11(12,13)14;;/h5-8,12-13H,4,9-11H2,1-3H3;4-8H,3H2,1-2H3;;/q2*-1;2*+1.
What are the key properties of dilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
dilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 832.74 g/mol, XLogP of 0.43, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 161037744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).