N-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide

C17H12ClF3N2O2S — CID 2822287

IUPACN-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide
SMILESO=C(CN1C(=O)CSc2ccc(C(F)(F)F)cc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClF3N2O2S/c18-11-2-4-12(5-3-11)22-15(24)8-23-13-7-10(17(19,20)21)1-6-14(13)26-9-16(23)25/h1-7H,8-9H2,(H,22,24)
InChIKeyAGBFKUQMPRAZIA-UHFFFAOYSA-N
MW400.81 g/mol
LogP4.44
Rot. Bonds3

About N-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide

N-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide (PubChem CID 2822287) has the molecular formula C17H12ClF3N2O2S and a molecular weight of 400.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide
PubChem CID2822287
Molecular FormulaC17H12ClF3N2O2S
Molecular Weight400.81 g/mol
Exact Mass400.03
IUPAC NameN-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide
SMILESO=C(CN1C(=O)CSc2ccc(C(F)(F)F)cc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClF3N2O2S/c18-11-2-4-12(5-3-11)22-15(24)8-23-13-7-10(17(19,20)21)1-6-14(13)26-9-16(23)25/h1-7H,8-9H2,(H,22,24)
InChIKeyAGBFKUQMPRAZIA-UHFFFAOYSA-N
XLogP4.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide (CID 2822287) is N-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide is O=C(CN1C(=O)CSc2ccc(C(F)(F)F)cc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide?
The InChIKey is AGBFKUQMPRAZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2S/c18-11-2-4-12(5-3-11)22-15(24)8-23-13-7-10(17(19,20)21)1-6-14(13)26-9-16(23)25/h1-7H,8-9H2,(H,22,24).
What are the key properties of N-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide?
N-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide has a molecular weight of 400.81 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide is sourced from PubChem (CID 2822287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).