(3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide

C21H18N2O3S — CID 134953855

IUPAC(3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide
SMILESCOc1ccc([C@@]2(c3ccccc3)NS(=O)(=O)N=C2c2ccccc2)cc1
InChIInChI=1S/C21H18N2O3S/c1-26-19-14-12-18(13-15-19)21(17-10-6-3-7-11-17)20(22-27(24,25)23-21)16-8-4-2-5-9-16/h2-15,23H,1H3/t21-/m1/s1
InChIKeyUKCXVOHPORFHMU-OAQYLSRUSA-N
MW378.45 g/mol
LogP3.28
Rot. Bonds4

About (3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide

(3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide (PubChem CID 134953855) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is (3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide
PubChem CID134953855
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name(3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide
SMILESCOc1ccc([C@@]2(c3ccccc3)NS(=O)(=O)N=C2c2ccccc2)cc1
InChIInChI=1S/C21H18N2O3S/c1-26-19-14-12-18(13-15-19)21(17-10-6-3-7-11-17)20(22-27(24,25)23-21)16-8-4-2-5-9-16/h2-15,23H,1H3/t21-/m1/s1
InChIKeyUKCXVOHPORFHMU-OAQYLSRUSA-N
XLogP3.28
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide?
The IUPAC name of (3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide (CID 134953855) is (3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide.
What is the SMILES notation for (3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide?
The canonical SMILES for (3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide is COc1ccc([C@@]2(c3ccccc3)NS(=O)(=O)N=C2c2ccccc2)cc1.
What is the InChIKey of (3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide?
The InChIKey is UKCXVOHPORFHMU-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-26-19-14-12-18(13-15-19)21(17-10-6-3-7-11-17)20(22-27(24,25)23-21)16-8-4-2-5-9-16/h2-15,23H,1H3/t21-/m1/s1.
What are the key properties of (3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide?
(3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide has a molecular weight of 378.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methoxyphenyl)-3,4-diphenyl-2H-1,2,5-thiadiazole 1,1-dioxide is sourced from PubChem (CID 134953855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).