dichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium

C11H12Cl2F3NO2RuS — CID 147821110

IUPACdichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium
SMILESCc1cc(CN(C=[Ru](Cl)Cl)S(C)(=O)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2S.2ClH.Ru/c1-8-4-9(7-15(2)18(3,16)17)6-10(5-8)11(12,13)14;;;/h2,4-6H,7H2,1,3H3;2*1H;/q;;;+2/p-2
InChIKeyNWIYKMZSTPWODW-UHFFFAOYSA-L
MW451.26 g/mol
LogP3.46
Rot. Bonds4

About dichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium

dichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium (PubChem CID 147821110) has the molecular formula C11H12Cl2F3NO2RuS and a molecular weight of 451.26 g/mol. Its IUPAC name is dichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium
PubChem CID147821110
Molecular FormulaC11H12Cl2F3NO2RuS
Molecular Weight451.26 g/mol
Exact Mass450.90
IUPAC Namedichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium
SMILESCc1cc(CN(C=[Ru](Cl)Cl)S(C)(=O)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2S.2ClH.Ru/c1-8-4-9(7-15(2)18(3,16)17)6-10(5-8)11(12,13)14;;;/h2,4-6H,7H2,1,3H3;2*1H;/q;;;+2/p-2
InChIKeyNWIYKMZSTPWODW-UHFFFAOYSA-L
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze dichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium?
The IUPAC name of dichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium (CID 147821110) is dichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium.
What is the SMILES notation for dichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium?
The canonical SMILES for dichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium is Cc1cc(CN(C=[Ru](Cl)Cl)S(C)(=O)=O)cc(C(F)(F)F)c1.
What is the InChIKey of dichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium?
The InChIKey is NWIYKMZSTPWODW-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H12F3NO2S.2ClH.Ru/c1-8-4-9(7-15(2)18(3,16)17)6-10(5-8)11(12,13)14;;;/h2,4-6H,7H2,1,3H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium?
dichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium has a molecular weight of 451.26 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[methylsulfonyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methylidene]ruthenium is sourced from PubChem (CID 147821110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).