[2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium

C16H13F2NO4RhS — CID 162401868

IUPAC[2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium
SMILESCc1ccc(S(=O)(=O)OCC(F)(F)c2ccccc2C(=O)N=[Rh])cc1
InChIInChI=1S/C16H13F2NO4S.Rh/c1-11-6-8-12(9-7-11)24(21,22)23-10-16(17,18)14-5-3-2-4-13(14)15(19)20;/h2-9H,10H2,1H3;
InChIKeyLONXOJMFFMHMSV-UHFFFAOYSA-N
MW456.25 g/mol
LogP3.36
Rot. Bonds6

About [2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium

[2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium (PubChem CID 162401868) has the molecular formula C16H13F2NO4RhS and a molecular weight of 456.25 g/mol. Its IUPAC name is [2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium.

Molecular Properties

Compound Name[2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium
PubChem CID162401868
Molecular FormulaC16H13F2NO4RhS
Molecular Weight456.25 g/mol
Exact Mass455.96
IUPAC Name[2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium
SMILESCc1ccc(S(=O)(=O)OCC(F)(F)c2ccccc2C(=O)N=[Rh])cc1
InChIInChI=1S/C16H13F2NO4S.Rh/c1-11-6-8-12(9-7-11)24(21,22)23-10-16(17,18)14-5-3-2-4-13(14)15(19)20;/h2-9H,10H2,1H3;
InChIKeyLONXOJMFFMHMSV-UHFFFAOYSA-N
XLogP3.36
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium?
The IUPAC name of [2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium (CID 162401868) is [2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium.
What is the SMILES notation for [2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium?
The canonical SMILES for [2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium is Cc1ccc(S(=O)(=O)OCC(F)(F)c2ccccc2C(=O)N=[Rh])cc1.
What is the InChIKey of [2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium?
The InChIKey is LONXOJMFFMHMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4S.Rh/c1-11-6-8-12(9-7-11)24(21,22)23-10-16(17,18)14-5-3-2-4-13(14)15(19)20;/h2-9H,10H2,1H3;.
What are the key properties of [2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium?
[2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium has a molecular weight of 456.25 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]benzoyl]iminorhodium is sourced from PubChem (CID 162401868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).