[(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane

C17H28N4O8S4 — CID 58935195

IUPAC[(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane
SMILES[N-]=[N+]=C(S(=O)(=O)CCCS(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C17H28N4O8S4/c18-20-16(32(26,27)14-8-3-1-4-9-14)30(22,23)12-7-13-31(24,25)17(21-19)33(28,29)15-10-5-2-6-11-15/h14-15H,1-13H2
InChIKeyGWBFMJPLANPQOC-UHFFFAOYSA-N
MW544.70 g/mol
LogP0.87
Rot. Bonds6

About [(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane

[(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane (PubChem CID 58935195) has the molecular formula C17H28N4O8S4 and a molecular weight of 544.70 g/mol. Its IUPAC name is [(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane.

Molecular Properties

Compound Name[(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane
PubChem CID58935195
Molecular FormulaC17H28N4O8S4
Molecular Weight544.70 g/mol
Exact Mass544.08
IUPAC Name[(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane
SMILES[N-]=[N+]=C(S(=O)(=O)CCCS(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C17H28N4O8S4/c18-20-16(32(26,27)14-8-3-1-4-9-14)30(22,23)12-7-13-31(24,25)17(21-19)33(28,29)15-10-5-2-6-11-15/h14-15H,1-13H2
InChIKeyGWBFMJPLANPQOC-UHFFFAOYSA-N
XLogP0.87
TPSA209.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.70
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane?
The IUPAC name of [(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane (CID 58935195) is [(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane.
What is the SMILES notation for [(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane?
The canonical SMILES for [(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane is [N-]=[N+]=C(S(=O)(=O)CCCS(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of [(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane?
The InChIKey is GWBFMJPLANPQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O8S4/c18-20-16(32(26,27)14-8-3-1-4-9-14)30(22,23)12-7-13-31(24,25)17(21-19)33(28,29)15-10-5-2-6-11-15/h14-15H,1-13H2.
What are the key properties of [(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane?
[(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane has a molecular weight of 544.70 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-[(E)-cyclohexylsulfonyl(diazo)methyl]sulfonylpropylsulfonyl-diazomethyl]sulfonylcyclohexane is sourced from PubChem (CID 58935195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).