bis-(4-methylphenyl)sulfonylazanide;gold(1+)

C14H14AuNO4S2 — CID 177449969

IUPACbis-(4-methylphenyl)sulfonylazanide;gold(1+)
SMILESCc1ccc(S(=O)(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1.[Au+]
InChIInChI=1S/C14H14NO4S2.Au/c1-11-3-7-13(8-4-11)20(16,17)15-21(18,19)14-9-5-12(2)6-10-14;/h3-10H,1-2H3;/q-1;+1
InChIKeyFBAHCJPONVALLM-UHFFFAOYSA-N
MW521.37 g/mol
LogP2.75
Rot. Bonds4

About bis-(4-methylphenyl)sulfonylazanide;gold(1+)

bis-(4-methylphenyl)sulfonylazanide;gold(1+) (PubChem CID 177449969) has the molecular formula C14H14AuNO4S2 and a molecular weight of 521.37 g/mol. Its IUPAC name is bis-(4-methylphenyl)sulfonylazanide;gold(1+).

Molecular Properties

Compound Namebis-(4-methylphenyl)sulfonylazanide;gold(1+)
PubChem CID177449969
Molecular FormulaC14H14AuNO4S2
Molecular Weight521.37 g/mol
Exact Mass521.00
IUPAC Namebis-(4-methylphenyl)sulfonylazanide;gold(1+)
SMILESCc1ccc(S(=O)(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1.[Au+]
InChIInChI=1S/C14H14NO4S2.Au/c1-11-3-7-13(8-4-11)20(16,17)15-21(18,19)14-9-5-12(2)6-10-14;/h3-10H,1-2H3;/q-1;+1
InChIKeyFBAHCJPONVALLM-UHFFFAOYSA-N
XLogP2.75
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium
CID 138966805
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
copper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide)
CID 139070893
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
(4-methylphenyl)sulfonyloxidanium
CID 5175018
antimony(3+);tris(4-methylbenzenesulfonate)
CID 86736930
tris(4-methylbenzenesulfonate);praseodymium(3+)
CID 102466575
4-methylbenzenesulfonic acid
CID 157221593

Frequently Asked Questions

What is the IUPAC name of bis-(4-methylphenyl)sulfonylazanide;gold(1+)?
The IUPAC name of bis-(4-methylphenyl)sulfonylazanide;gold(1+) (CID 177449969) is bis-(4-methylphenyl)sulfonylazanide;gold(1+).
What is the SMILES notation for bis-(4-methylphenyl)sulfonylazanide;gold(1+)?
The canonical SMILES for bis-(4-methylphenyl)sulfonylazanide;gold(1+) is Cc1ccc(S(=O)(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1.[Au+].
What is the InChIKey of bis-(4-methylphenyl)sulfonylazanide;gold(1+)?
The InChIKey is FBAHCJPONVALLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO4S2.Au/c1-11-3-7-13(8-4-11)20(16,17)15-21(18,19)14-9-5-12(2)6-10-14;/h3-10H,1-2H3;/q-1;+1.
What are the key properties of bis-(4-methylphenyl)sulfonylazanide;gold(1+)?
bis-(4-methylphenyl)sulfonylazanide;gold(1+) has a molecular weight of 521.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis-(4-methylphenyl)sulfonylazanide;gold(1+) is sourced from PubChem (CID 177449969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).