6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione

C9H5ClN2O2S — CID 514163

IUPAC6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione
SMILESO=c1nc(-c2ccc(Cl)cc2)sc(=O)[nH]1
InChIInChI=1S/C9H5ClN2O2S/c10-6-3-1-5(2-4-6)7-11-8(13)12-9(14)15-7/h1-4H,(H,12,13,14)
InChIKeyNNDRJWMWXOELRQ-UHFFFAOYSA-N
MW240.67 g/mol
LogP1.51
Rot. Bonds1

About 6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione

6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione (PubChem CID 514163) has the molecular formula C9H5ClN2O2S and a molecular weight of 240.67 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione
PubChem CID514163
Molecular FormulaC9H5ClN2O2S
Molecular Weight240.67 g/mol
Exact Mass239.98
IUPAC Name6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione
SMILESO=c1nc(-c2ccc(Cl)cc2)sc(=O)[nH]1
InChIInChI=1S/C9H5ClN2O2S/c10-6-3-1-5(2-4-6)7-11-8(13)12-9(14)15-7/h1-4H,(H,12,13,14)
InChIKeyNNDRJWMWXOELRQ-UHFFFAOYSA-N
XLogP1.51
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione?
The IUPAC name of 6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione (CID 514163) is 6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione?
The canonical SMILES for 6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione is O=c1nc(-c2ccc(Cl)cc2)sc(=O)[nH]1.
What is the InChIKey of 6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione?
The InChIKey is NNDRJWMWXOELRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2S/c10-6-3-1-5(2-4-6)7-11-8(13)12-9(14)15-7/h1-4H,(H,12,13,14).
What are the key properties of 6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione?
6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione has a molecular weight of 240.67 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione is sourced from PubChem (CID 514163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).