N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium)

C71H82N4O6S4 — CID 165061833

About N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium)

N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium) (PubChem CID 165061833) has the molecular formula C71H82N4O6S4 and a molecular weight of 1215.73 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium).

Molecular Properties

• Compound Name: N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium)
• PubChem CID: 165061833
• Molecular Formula: C71H82N4O6S4
• Molecular Weight: 1215.73 g/mol
• Exact Mass: 1214.51
• IUPAC Name: N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium)
• SMILES: CC([O-])=NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(N)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1
• InChI: InChI=1S/2C24H25S.C15H24N2O3S.C8H10N2O3S/c2*1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-2-3-4-5-6-7-8-15(18)17-21(19,20)14-11-9-13(16)10-12-14;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2*2-3,6-9,12-20H,1,4-5,10-11H2;9-12H,2-8,16H2,1H3,(H,17,18);2-5H,9H2,1H3,(H,10,11)/q2*+1;;/p-2
• InChIKey: RIGNPNAVNCTJAJ-UHFFFAOYSA-L
• XLogP: 15.86
• TPSA: 191.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1215.73
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium)?

The IUPAC name of N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium) (CID 165061833) is N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium).

What is the SMILES notation for N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium)?

The canonical SMILES for N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium) is CC([O-])=NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(N)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.

What is the InChIKey of N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium)?

The InChIKey is RIGNPNAVNCTJAJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C24H25S.C15H24N2O3S.C8H10N2O3S/c2*1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-2-3-4-5-6-7-8-15(18)17-21(19,20)14-11-9-13(16)10-12-14;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2*2-3,6-9,12-20H,1,4-5,10-11H2;9-12H,2-8,16H2,1H3,(H,17,18);2-5H,9H2,1H3,(H,10,11)/q2*+1;;/p-2.

What are the key properties of N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium)?

N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium) has a molecular weight of 1215.73 g/mol, XLogP of 15.86, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-aminophenyl)sulfonylethanimidate;N-(4-aminophenyl)sulfonylnonanimidate;bis((4-cyclohexylphenyl)-diphenylsulfanium) is sourced from PubChem (CID 165061833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).