3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide

C15H8Cl2N2O2S — CID 1212711

IUPAC3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide
SMILESO=C(Nc1nc(=O)c2ccccc2s1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H8Cl2N2O2S/c16-10-6-5-8(7-11(10)17)13(20)18-15-19-14(21)9-3-1-2-4-12(9)22-15/h1-7H,(H,18,19,20,21)
InChIKeyOFWNHJRFPIFZCA-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.22
Rot. Bonds2

About 3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide

3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide (PubChem CID 1212711) has the molecular formula C15H8Cl2N2O2S and a molecular weight of 351.21 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide
PubChem CID1212711
Molecular FormulaC15H8Cl2N2O2S
Molecular Weight351.21 g/mol
Exact Mass349.97
IUPAC Name3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide
SMILESO=C(Nc1nc(=O)c2ccccc2s1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H8Cl2N2O2S/c16-10-6-5-8(7-11(10)17)13(20)18-15-19-14(21)9-3-1-2-4-12(9)22-15/h1-7H,(H,18,19,20,21)
InChIKeyOFWNHJRFPIFZCA-UHFFFAOYSA-N
XLogP4.22
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide (CID 1212711) is 3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide is O=C(Nc1nc(=O)c2ccccc2s1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
The InChIKey is OFWNHJRFPIFZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O2S/c16-10-6-5-8(7-11(10)17)13(20)18-15-19-14(21)9-3-1-2-4-12(9)22-15/h1-7H,(H,18,19,20,21).
What are the key properties of 3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide has a molecular weight of 351.21 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide is sourced from PubChem (CID 1212711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).