3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one

C21H23ClN2O4S — CID 19074387

IUPAC3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one
SMILESO=C1c2ccccc2CS(=O)(=O)N1C(CCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O4S/c22-18-7-5-16(6-8-18)20(9-10-23-11-13-28-14-12-23)24-21(25)19-4-2-1-3-17(19)15-29(24,26)27/h1-8,20H,9-15H2
InChIKeyGOOMLAQKPRLFLZ-UHFFFAOYSA-N
MW434.95 g/mol
LogP3.09
Rot. Bonds5

About 3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one

3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one (PubChem CID 19074387) has the molecular formula C21H23ClN2O4S and a molecular weight of 434.95 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one
PubChem CID19074387
Molecular FormulaC21H23ClN2O4S
Molecular Weight434.95 g/mol
Exact Mass434.11
IUPAC Name3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one
SMILESO=C1c2ccccc2CS(=O)(=O)N1C(CCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O4S/c22-18-7-5-16(6-8-18)20(9-10-23-11-13-28-14-12-23)24-21(25)19-4-2-1-3-17(19)15-29(24,26)27/h1-8,20H,9-15H2
InChIKeyGOOMLAQKPRLFLZ-UHFFFAOYSA-N
XLogP3.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one?
The IUPAC name of 3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one (CID 19074387) is 3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one.
What is the SMILES notation for 3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one?
The canonical SMILES for 3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one is O=C1c2ccccc2CS(=O)(=O)N1C(CCN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one?
The InChIKey is GOOMLAQKPRLFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4S/c22-18-7-5-16(6-8-18)20(9-10-23-11-13-28-14-12-23)24-21(25)19-4-2-1-3-17(19)15-29(24,26)27/h1-8,20H,9-15H2.
What are the key properties of 3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one?
3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one has a molecular weight of 434.95 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)-3-morpholin-4-ylpropyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one is sourced from PubChem (CID 19074387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).