3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one

C20H15ClN2OS — CID 4212666

IUPAC3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one
SMILESO=C1c2ccccc2SC(c2ccc(Cl)cc2)N1Nc1ccccc1
InChIInChI=1S/C20H15ClN2OS/c21-15-12-10-14(11-13-15)20-23(22-16-6-2-1-3-7-16)19(24)17-8-4-5-9-18(17)25-20/h1-13,20,22H
InChIKeyRUYJOOBLIORUOD-UHFFFAOYSA-N
MW366.87 g/mol
LogP5.61
Rot. Bonds3

About 3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one

3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one (PubChem CID 4212666) has the molecular formula C20H15ClN2OS and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one
PubChem CID4212666
Molecular FormulaC20H15ClN2OS
Molecular Weight366.87 g/mol
Exact Mass366.06
IUPAC Name3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one
SMILESO=C1c2ccccc2SC(c2ccc(Cl)cc2)N1Nc1ccccc1
InChIInChI=1S/C20H15ClN2OS/c21-15-12-10-14(11-13-15)20-23(22-16-6-2-1-3-7-16)19(24)17-8-4-5-9-18(17)25-20/h1-13,20,22H
InChIKeyRUYJOOBLIORUOD-UHFFFAOYSA-N
XLogP5.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis(4-methylphenyl)-2H-1,3-benzothiazin-4-one
CID 155320758
3-(4-bromophenyl)-2-phenyl-2H-1,3-benzothiazin-4-one
CID 155321597
2-(4-methylsulfonylphenyl)-3-(2-phenylethyl)-2H-1,3-benzothiazin-4-one
CID 45273289
2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 11802058
3-anilino-2-(4-chlorophenyl)-3H-isoindol-1-one
CID 20867124
N-(4-chlorophenyl)-1,1,3-trioxo-1,2-benzothiazole-2-carboxamide
CID 139811353
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
CID 10671957
3-(4-chlorophenyl)-2,3-dihydro-4,1-benzoxathiepin-5-one
CID 10541561
2-(4-chloroanilino)benzo[de]isoquinoline-1,3-dione
CID 21237192
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one
CID 11403484
(4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one
CID 930835

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one?
The IUPAC name of 3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one (CID 4212666) is 3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one.
What is the SMILES notation for 3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one?
The canonical SMILES for 3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one is O=C1c2ccccc2SC(c2ccc(Cl)cc2)N1Nc1ccccc1.
What is the InChIKey of 3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one?
The InChIKey is RUYJOOBLIORUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2OS/c21-15-12-10-14(11-13-15)20-23(22-16-6-2-1-3-7-16)19(24)17-8-4-5-9-18(17)25-20/h1-13,20,22H.
What are the key properties of 3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one?
3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one has a molecular weight of 366.87 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-(4-chlorophenyl)-2H-1,3-benzothiazin-4-one is sourced from PubChem (CID 4212666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).