N-tritylethenesulfinamide

C21H19NOS — CID 143933710

IUPACN-tritylethenesulfinamide
SMILESC=CS(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NOS/c1-2-24(23)22-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17,22H,1H2
InChIKeyPMYKLJXVPIQUSZ-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.38
Rot. Bonds6

About N-tritylethenesulfinamide

N-tritylethenesulfinamide (PubChem CID 143933710) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-tritylethenesulfinamide.

Molecular Properties

Compound NameN-tritylethenesulfinamide
PubChem CID143933710
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC NameN-tritylethenesulfinamide
SMILESC=CS(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NOS/c1-2-24(23)22-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17,22H,1H2
InChIKeyPMYKLJXVPIQUSZ-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-tritylethenesulfinamide?
The IUPAC name of N-tritylethenesulfinamide (CID 143933710) is N-tritylethenesulfinamide.
What is the SMILES notation for N-tritylethenesulfinamide?
The canonical SMILES for N-tritylethenesulfinamide is C=CS(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-tritylethenesulfinamide?
The InChIKey is PMYKLJXVPIQUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS/c1-2-24(23)22-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17,22H,1H2.
What are the key properties of N-tritylethenesulfinamide?
N-tritylethenesulfinamide has a molecular weight of 333.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tritylethenesulfinamide is sourced from PubChem (CID 143933710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).