CID 59676655

C22H23ClF2O4SSi — CID 59676655

IUPAC—
SMILESC[Si]CCOC[C@@H]1C[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C22H23ClF2O4SSi/c1-31-11-10-29-14-15-13-22(9-8-21(15)26,19-12-17(24)4-7-20(19)25)30(27,28)18-5-2-16(23)3-6-18/h2-7,12,15H,8-11,13-14H2,1H3/t15-,22+/m0/s1
InChIKeyXXULQMZCDJRREW-OYHNWAKOSA-N
MW485.02 g/mol
LogP4.84
Rot. Bonds8

About CID 59676655

CID 59676655 (PubChem CID 59676655) has the molecular formula C22H23ClF2O4SSi and a molecular weight of 485.02 g/mol.

Molecular Properties

Compound NameCID 59676655
PubChem CID59676655
Molecular FormulaC22H23ClF2O4SSi
Molecular Weight485.02 g/mol
Exact Mass484.07
IUPAC Name—
SMILESC[Si]CCOC[C@@H]1C[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C22H23ClF2O4SSi/c1-31-11-10-29-14-15-13-22(9-8-21(15)26,19-12-17(24)4-7-20(19)25)30(27,28)18-5-2-16(23)3-6-18/h2-7,12,15H,8-11,13-14H2,1H3/t15-,22+/m0/s1
InChIKeyXXULQMZCDJRREW-OYHNWAKOSA-N
XLogP4.84
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.02
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-Chloro-benzenesulfonyl)-5-(2,5-difluoro-phenyl)-2-oxo-cyclohexanecarboxylic acid methyl ester
CID 44400710
cis-Methyl 4-(3-(4-chlorophenylsulfonyl)-3-(2,5-difluorophenyl)cyclohexyl)butanoate
CID 16037832
trans-Methyl 4-(3-(4-chlorophenylsulfonyl)-3-(2,5-difluorophenyl)cyclohexyl)butanoate
CID 44413791
cis-Methyl 4-(3-(4-chlorophenylsulfonyl)-3-(2,5-difluorophenyl)-1-methylcyclohexyl)butanoate
CID 44413805
trans-Methyl 4-(3-(4-chlorophenylsulfonyl)-3-(2,5-difluorophenyl)-1-methylcyclohexyl)butanoate
CID 44413753
Ethyl 2-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]acetate
CID 16097622
4-[4-(4-Chloro-benzenesulfonyl)-4-(2,5-difluoro-phenyl)-cyclohexyl]-2-ethyl-2-methanesulfonyl-butyric Acid Ethyl Ester
CID 21048980
4-[4-(4-Chloro-benzenesulfonyl)-4-(2,5-difluoro-phenyl)-cyclohexyl]-2-methanesulfonyl-butyric Acid Ethyl Ester
CID 21048985
Ethyl 2-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoate
CID 23590956
ethyl 2-[1-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 24875524
ethyl 2-[1-(4-chlorophenyl)sulfonyl-7-fluoro-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 24876651
Methyl 5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)-1-methyl-2-oxocyclohexane-1-carboxylate
CID 57849260

Frequently Asked Questions

What is the IUPAC name of CID 59676655?
The IUPAC name of CID 59676655 (CID 59676655) is not available.
What is the SMILES notation for CID 59676655?
The canonical SMILES for CID 59676655 is C[Si]CCOC[C@@H]1C[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CCC1=O.
What is the InChIKey of CID 59676655?
The InChIKey is XXULQMZCDJRREW-OYHNWAKOSA-N. The full InChI is InChI=1S/C22H23ClF2O4SSi/c1-31-11-10-29-14-15-13-22(9-8-21(15)26,19-12-17(24)4-7-20(19)25)30(27,28)18-5-2-16(23)3-6-18/h2-7,12,15H,8-11,13-14H2,1H3/t15-,22+/m0/s1.
What are the key properties of CID 59676655?
CID 59676655 has a molecular weight of 485.02 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59676655 is sourced from PubChem (CID 59676655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).