bis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium)

C93H96F3N3O13S9 — CID 158301884

IUPACbis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium)
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)c(C(C)C)c1.CC1(C)C2CCC1(CS(=O)(=O)[N-]S(C)(=O)=O)C(=O)C2.O=S(=O)([N-]S(=O)(=O)c1ccccc1)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15S.C16H23F3NO4S2.C12H10NO4S2.C11H18NO5S2/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)25(21,22)20-26(23,24)16(17,18)19;14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12;1-10(2)8-4-5-11(10,9(13)6-8)7-19(16,17)12-18(3,14)15/h3*1-15H;7-11H,1-6H3;1-10H;8H,4-7H2,1-3H3/q3*+1;3*-1
InChIKeyGMPBJBRUOCZHEB-UHFFFAOYSA-N
MW1809.40 g/mol
LogP22.50
Rot. Bonds23

About bis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium)

bis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium) (PubChem CID 158301884) has the molecular formula C93H96F3N3O13S9 and a molecular weight of 1809.40 g/mol. Its IUPAC name is bis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium).

Molecular Properties

Compound Namebis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium)
PubChem CID158301884
Molecular FormulaC93H96F3N3O13S9
Molecular Weight1809.40 g/mol
Exact Mass1807.44
IUPAC Namebis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium)
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)c(C(C)C)c1.CC1(C)C2CCC1(CS(=O)(=O)[N-]S(C)(=O)=O)C(=O)C2.O=S(=O)([N-]S(=O)(=O)c1ccccc1)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15S.C16H23F3NO4S2.C12H10NO4S2.C11H18NO5S2/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)25(21,22)20-26(23,24)16(17,18)19;14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12;1-10(2)8-4-5-11(10,9(13)6-8)7-19(16,17)12-18(3,14)15/h3*1-15H;7-11H,1-6H3;1-10H;8H,4-7H2,1-3H3/q3*+1;3*-1
InChIKeyGMPBJBRUOCZHEB-UHFFFAOYSA-N
XLogP22.50
TPSA264.21 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001809.40
LogP ≤ 522.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium)?
The IUPAC name of bis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium) (CID 158301884) is bis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium).
What is the SMILES notation for bis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium)?
The canonical SMILES for bis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium) is CC(C)c1cc(C(C)C)c(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)c(C(C)C)c1.CC1(C)C2CCC1(CS(=O)(=O)[N-]S(C)(=O)=O)C(=O)C2.O=S(=O)([N-]S(=O)(=O)c1ccccc1)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium)?
The InChIKey is GMPBJBRUOCZHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15S.C16H23F3NO4S2.C12H10NO4S2.C11H18NO5S2/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)25(21,22)20-26(23,24)16(17,18)19;14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12;1-10(2)8-4-5-11(10,9(13)6-8)7-19(16,17)12-18(3,14)15/h3*1-15H;7-11H,1-6H3;1-10H;8H,4-7H2,1-3H3/q3*+1;3*-1.
What are the key properties of bis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium)?
bis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium) has a molecular weight of 1809.40 g/mol, XLogP of 22.50, 23 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzenesulfonyl)azanide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylsulfonylazanide;trifluoromethylsulfonyl-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;tris(triphenylsulfanium) is sourced from PubChem (CID 158301884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).