dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium

C19H24Cl2N2O3RuS — CID 58350325

IUPACdichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium
SMILESCC(C)Oc1ccccc1NCc1ccc(S(=O)(=O)N(C)C)cc1C=[Ru](Cl)Cl
InChIInChI=1S/C19H24N2O3S.2ClH.Ru/c1-14(2)24-19-9-7-6-8-18(19)20-13-16-10-11-17(12-15(16)3)25(22,23)21(4)5;;;/h3,6-12,14,20H,13H2,1-2,4-5H3;2*1H;/q;;;+2/p-2
InChIKeyAKKMDVOWOZQJFL-UHFFFAOYSA-L
MW532.46 g/mol
LogP4.41
Rot. Bonds8

About dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium

dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium (PubChem CID 58350325) has the molecular formula C19H24Cl2N2O3RuS and a molecular weight of 532.46 g/mol. Its IUPAC name is dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium
PubChem CID58350325
Molecular FormulaC19H24Cl2N2O3RuS
Molecular Weight532.46 g/mol
Exact Mass531.99
IUPAC Namedichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium
SMILESCC(C)Oc1ccccc1NCc1ccc(S(=O)(=O)N(C)C)cc1C=[Ru](Cl)Cl
InChIInChI=1S/C19H24N2O3S.2ClH.Ru/c1-14(2)24-19-9-7-6-8-18(19)20-13-16-10-11-17(12-15(16)3)25(22,23)21(4)5;;;/h3,6-12,14,20H,13H2,1-2,4-5H3;2*1H;/q;;;+2/p-2
InChIKeyAKKMDVOWOZQJFL-UHFFFAOYSA-L
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium with MolForge

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Related Compounds

dichloro-[[4-(dimethylsulfamoyl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;tricyclohexylphosphane
CID 91798454
dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium
CID 140664640
2-nitro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43785458
carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 20816790
3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 166213910
N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline
CID 54802436
N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
CID 24511911
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2635372
N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 39245563
N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 25195976
N,N-dimethyl-3-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 74406058
N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline
CID 80700432

Frequently Asked Questions

What is the IUPAC name of dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium?
The IUPAC name of dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium (CID 58350325) is dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium.
What is the SMILES notation for dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium?
The canonical SMILES for dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium is CC(C)Oc1ccccc1NCc1ccc(S(=O)(=O)N(C)C)cc1C=[Ru](Cl)Cl.
What is the InChIKey of dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium?
The InChIKey is AKKMDVOWOZQJFL-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H24N2O3S.2ClH.Ru/c1-14(2)24-19-9-7-6-8-18(19)20-13-16-10-11-17(12-15(16)3)25(22,23)21(4)5;;;/h3,6-12,14,20H,13H2,1-2,4-5H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium?
dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium has a molecular weight of 532.46 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium is sourced from PubChem (CID 58350325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).