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

C15H8ClFN2O2S — CID 2810151

IUPAC2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
SMILESO=C(Nc1nc2ccccc2c(=O)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H8ClFN2O2S/c16-11-7-8(17)5-6-9(11)13(20)19-15-18-12-4-2-1-3-10(12)14(21)22-15/h1-7H,(H,18,19,20)
InChIKeyFWRHYLUKECMZQH-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.70
Rot. Bonds2

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

2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide (PubChem CID 2810151) has the molecular formula C15H8ClFN2O2S and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
PubChem CID2810151
Molecular FormulaC15H8ClFN2O2S
Molecular Weight334.76 g/mol
Exact Mass334.00
IUPAC Name2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
SMILESO=C(Nc1nc2ccccc2c(=O)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H8ClFN2O2S/c16-11-7-8(17)5-6-9(11)13(20)19-15-18-12-4-2-1-3-10(12)14(21)22-15/h1-7H,(H,18,19,20)
InChIKeyFWRHYLUKECMZQH-UHFFFAOYSA-N
XLogP3.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide (CID 2810151) is 2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide is O=C(Nc1nc2ccccc2c(=O)s1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide?
The InChIKey is FWRHYLUKECMZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN2O2S/c16-11-7-8(17)5-6-9(11)13(20)19-15-18-12-4-2-1-3-10(12)14(21)22-15/h1-7H,(H,18,19,20).
What are the key properties of 2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide?
2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide has a molecular weight of 334.76 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide is sourced from PubChem (CID 2810151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).