CID 10623150

C22H23NO2SSe — CID 10623150

IUPAC—
SMILESCc1ccc(S(=O)(=O)/N=[Se](\c2ccccc2)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H23NO2SSe/c1-16-10-12-20(13-11-16)26(24,25)23-27(21-8-6-5-7-9-21)22-18(3)14-17(2)15-19(22)4/h5-15H,1-4H3
InChIKeyHEBVSNNAYLELAD-UHFFFAOYSA-N
MW444.46 g/mol
LogP3.68
Rot. Bonds4

About CID 10623150

CID 10623150 (PubChem CID 10623150) has the molecular formula C22H23NO2SSe and a molecular weight of 444.46 g/mol.

Molecular Properties

Compound NameCID 10623150
PubChem CID10623150
Molecular FormulaC22H23NO2SSe
Molecular Weight444.46 g/mol
Exact Mass445.06
IUPAC Name—
SMILESCc1ccc(S(=O)(=O)/N=[Se](\c2ccccc2)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H23NO2SSe/c1-16-10-12-20(13-11-16)26(24,25)23-27(21-8-6-5-7-9-21)22-18(3)14-17(2)15-19(22)4/h5-15H,1-4H3
InChIKeyHEBVSNNAYLELAD-UHFFFAOYSA-N
XLogP3.68
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
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N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
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CID 10698571
ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane
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Frequently Asked Questions

What is the IUPAC name of CID 10623150?
The IUPAC name of CID 10623150 (CID 10623150) is not available.
What is the SMILES notation for CID 10623150?
The canonical SMILES for CID 10623150 is Cc1ccc(S(=O)(=O)/N=[Se](\c2ccccc2)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of CID 10623150?
The InChIKey is HEBVSNNAYLELAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2SSe/c1-16-10-12-20(13-11-16)26(24,25)23-27(21-8-6-5-7-9-21)22-18(3)14-17(2)15-19(22)4/h5-15H,1-4H3.
What are the key properties of CID 10623150?
CID 10623150 has a molecular weight of 444.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10623150 is sourced from PubChem (CID 10623150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).