(4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide

C32H26NO2S- — CID 177423613

IUPAC(4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide
SMILESCc1ccc(S(=O)(=O)[N-]c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H26NO2S/c1-25-17-23-31(24-18-25)36(34,35)33-30-21-19-29(20-22-30)32(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-24H,1H3/q-1
InChIKeyFHQLXIFRTWCYAA-UHFFFAOYSA-N
MW488.63 g/mol
LogP7.77
Rot. Bonds7

About (4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide

(4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide (PubChem CID 177423613) has the molecular formula C32H26NO2S- and a molecular weight of 488.63 g/mol. Its IUPAC name is (4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide.

Molecular Properties

Compound Name(4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide
PubChem CID177423613
Molecular FormulaC32H26NO2S-
Molecular Weight488.63 g/mol
Exact Mass488.17
IUPAC Name(4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide
SMILESCc1ccc(S(=O)(=O)[N-]c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H26NO2S/c1-25-17-23-31(24-18-25)36(34,35)33-30-21-19-29(20-22-30)32(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-24H,1H3/q-1
InChIKeyFHQLXIFRTWCYAA-UHFFFAOYSA-N
XLogP7.77
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide?
The IUPAC name of (4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide (CID 177423613) is (4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide.
What is the SMILES notation for (4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide?
The canonical SMILES for (4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide is Cc1ccc(S(=O)(=O)[N-]c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of (4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide?
The InChIKey is FHQLXIFRTWCYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26NO2S/c1-25-17-23-31(24-18-25)36(34,35)33-30-21-19-29(20-22-30)32(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-24H,1H3/q-1.
What are the key properties of (4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide?
(4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide has a molecular weight of 488.63 g/mol, XLogP of 7.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide is sourced from PubChem (CID 177423613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).