actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide

C21H16AcF3N2O4S- — CID 59057416

IUPACactinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide
SMILES[Ac].[NH-]S(=O)(=O)c1ccccc1NC(=O)c1cccc(OCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C21H17F3N2O4S.Ac/c22-21(23,24)16-10-8-14(9-11-16)13-30-17-5-3-4-15(12-17)20(27)26-18-6-1-2-7-19(18)31(25,28)29;/h1-12H,13H2,(H3,25,26,27,28,29);/p-1
InChIKeyXMSQGTYSISDETQ-UHFFFAOYSA-M
MW676.43 g/mol
LogP5.28
Rot. Bonds6

About actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide

actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide (PubChem CID 59057416) has the molecular formula C21H16AcF3N2O4S- and a molecular weight of 676.43 g/mol. Its IUPAC name is actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide.

Molecular Properties

Compound Nameactinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide
PubChem CID59057416
Molecular FormulaC21H16AcF3N2O4S-
Molecular Weight676.43 g/mol
Exact Mass676.11
IUPAC Nameactinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide
SMILES[Ac].[NH-]S(=O)(=O)c1ccccc1NC(=O)c1cccc(OCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C21H17F3N2O4S.Ac/c22-21(23,24)16-10-8-14(9-11-16)13-30-17-5-3-4-15(12-17)20(27)26-18-6-1-2-7-19(18)31(25,28)29;/h1-12H,13H2,(H3,25,26,27,28,29);/p-1
InChIKeyXMSQGTYSISDETQ-UHFFFAOYSA-M
XLogP5.28
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.43
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide
CID 2288753
N-pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 59607236
N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 90241335
3-[(4-tert-butylphenyl)methoxy]-N-[2-[[(E)-3-phenylprop-2-enoyl]sulfamoyl]phenyl]benzamide
CID 12041310
N-(2-ethylphenyl)-3-phenylmethoxybenzamide
CID 801132
3-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24685517
N-(2-phenylmethoxyphenyl)-4-(trifluoromethyl)benzamide
CID 141040203
2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
CID 66912833
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
3-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 30155523
3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
N-(2-nitrophenyl)-3-phenylmethoxybenzamide
CID 23854961

Frequently Asked Questions

What is the IUPAC name of actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide?
The IUPAC name of actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide (CID 59057416) is actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide.
What is the SMILES notation for actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide?
The canonical SMILES for actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide is [Ac].[NH-]S(=O)(=O)c1ccccc1NC(=O)c1cccc(OCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide?
The InChIKey is XMSQGTYSISDETQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H17F3N2O4S.Ac/c22-21(23,24)16-10-8-14(9-11-16)13-30-17-5-3-4-15(12-17)20(27)26-18-6-1-2-7-19(18)31(25,28)29;/h1-12H,13H2,(H3,25,26,27,28,29);/p-1.
What are the key properties of actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide?
actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide has a molecular weight of 676.43 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide is sourced from PubChem (CID 59057416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).