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

C30H31FN2O2OsS — CID 131841387

IUPAC(2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
SMILESCc1ccc(C(C)C)cc1.[NH-]C(c1ccccc1)C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1.[Os+2]
InChIInChI=1S/C20H17FN2O2S.C10H14.Os/c21-17-11-13-18(14-12-17)26(24,25)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15;1-8(2)10-6-4-9(3)5-7-10;/h1-14,19-20,22H;4-8H,1-3H3;/q-2;;+2
InChIKeyBTBLZVSIFCSNSW-UHFFFAOYSA-N
MW692.89 g/mol
LogP8.54
Rot. Bonds7

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

(2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+) (PubChem CID 131841387) has the molecular formula C30H31FN2O2OsS and a molecular weight of 692.89 g/mol. Its IUPAC name is (2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+).

Molecular Properties

Compound Name(2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
PubChem CID131841387
Molecular FormulaC30H31FN2O2OsS
Molecular Weight692.89 g/mol
Exact Mass694.17
IUPAC Name(2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
SMILESCc1ccc(C(C)C)cc1.[NH-]C(c1ccccc1)C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1.[Os+2]
InChIInChI=1S/C20H17FN2O2S.C10H14.Os/c21-17-11-13-18(14-12-17)26(24,25)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15;1-8(2)10-6-4-9(3)5-7-10;/h1-14,19-20,22H;4-8H,1-3H3;/q-2;;+2
InChIKeyBTBLZVSIFCSNSW-UHFFFAOYSA-N
XLogP8.54
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.89
LogP ≤ 58.54
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-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)?
The IUPAC name of (2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+) (CID 131841387) is (2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+).
What is the SMILES notation for (2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)?
The canonical SMILES for (2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+) is Cc1ccc(C(C)C)cc1.[NH-]C(c1ccccc1)C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1.[Os+2].
What is the InChIKey of (2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)?
The InChIKey is BTBLZVSIFCSNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S.C10H14.Os/c21-17-11-13-18(14-12-17)26(24,25)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15;1-8(2)10-6-4-9(3)5-7-10;/h1-14,19-20,22H;4-8H,1-3H3;/q-2;;+2.
What are the key properties of (2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)?
(2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+) has a molecular weight of 692.89 g/mol, XLogP of 8.54, 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-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+) is sourced from PubChem (CID 131841387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).