[1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene

C37H52N4O8S4 — CID 157059126

IUPAC[1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene
SMILESCCCCCCCCCC(S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C1CCCCC1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C1CCCCC1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C24H42N4O8S4.C13H10/c1-2-3-4-5-6-7-14-19-22(39(33,34)23(27-25)37(29,30)20-15-10-8-11-16-20)40(35,36)24(28-26)38(31,32)21-17-12-9-13-18-21;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h20-22H,2-19H2,1H3;1-8H,9H2
InChIKeyABCOMVRQPGJTED-UHFFFAOYSA-N
MW809.11 g/mol
LogP7.21
Rot. Bonds12

About [1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene

[1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene (PubChem CID 157059126) has the molecular formula C37H52N4O8S4 and a molecular weight of 809.11 g/mol. Its IUPAC name is [1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene.

Molecular Properties

Compound Name[1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene
PubChem CID157059126
Molecular FormulaC37H52N4O8S4
Molecular Weight809.11 g/mol
Exact Mass808.27
IUPAC Name[1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene
SMILESCCCCCCCCCC(S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C1CCCCC1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C1CCCCC1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C24H42N4O8S4.C13H10/c1-2-3-4-5-6-7-14-19-22(39(33,34)23(27-25)37(29,30)20-15-10-8-11-16-20)40(35,36)24(28-26)38(31,32)21-17-12-9-13-18-21;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h20-22H,2-19H2,1H3;1-8H,9H2
InChIKeyABCOMVRQPGJTED-UHFFFAOYSA-N
XLogP7.21
TPSA209.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.11
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene?
The IUPAC name of [1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene (CID 157059126) is [1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene.
What is the SMILES notation for [1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene?
The canonical SMILES for [1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene is CCCCCCCCCC(S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C1CCCCC1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C1CCCCC1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of [1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene?
The InChIKey is ABCOMVRQPGJTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O8S4.C13H10/c1-2-3-4-5-6-7-14-19-22(39(33,34)23(27-25)37(29,30)20-15-10-8-11-16-20)40(35,36)24(28-26)38(31,32)21-17-12-9-13-18-21;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h20-22H,2-19H2,1H3;1-8H,9H2.
What are the key properties of [1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene?
[1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene has a molecular weight of 809.11 g/mol, XLogP of 7.21, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[cyclohexylsulfonyl(diazo)methyl]sulfonyldecylsulfonyl-diazomethyl]sulfonylcyclohexane;9H-fluorene is sourced from PubChem (CID 157059126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).