(2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)

C31H34N2O2OsS — CID 131841386

IUPAC(2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
SMILESCc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.[Os+2]
InChIInChI=1S/C21H20N2O2S.C10H14.Os/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-8(2)10-6-4-9(3)5-7-10;/h2-15,20-22H,1H3;4-8H,1-3H3;/q-2;;+2
InChIKeyFKWXLGJJZYRMHY-UHFFFAOYSA-N
MW688.92 g/mol
LogP8.71
Rot. Bonds7

About (2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)

(2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+) (PubChem CID 131841386) has the molecular formula C31H34N2O2OsS and a molecular weight of 688.92 g/mol. Its IUPAC name is (2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+).

Molecular Properties

Compound Name(2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
PubChem CID131841386
Molecular FormulaC31H34N2O2OsS
Molecular Weight688.92 g/mol
Exact Mass690.20
IUPAC Name(2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
SMILESCc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.[Os+2]
InChIInChI=1S/C21H20N2O2S.C10H14.Os/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-8(2)10-6-4-9(3)5-7-10;/h2-15,20-22H,1H3;4-8H,1-3H3;/q-2;;+2
InChIKeyFKWXLGJJZYRMHY-UHFFFAOYSA-N
XLogP8.71
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.92
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)?
The IUPAC name of (2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+) (CID 131841386) is (2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+).
What is the SMILES notation for (2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)?
The canonical SMILES for (2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+) is Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.[Os+2].
What is the InChIKey of (2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)?
The InChIKey is FKWXLGJJZYRMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S.C10H14.Os/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-8(2)10-6-4-9(3)5-7-10;/h2-15,20-22H,1H3;4-8H,1-3H3;/q-2;;+2.
What are the key properties of (2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)?
(2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+) has a molecular weight of 688.92 g/mol, XLogP of 8.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+) is sourced from PubChem (CID 131841386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).