N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

C16H12ClFN2O2S — CID 9146240

IUPACN-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESO=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C16H12ClFN2O2S/c17-9-4-3-6-11(15(9)18)19-14(21)8-13-16(22)20-10-5-1-2-7-12(10)23-13/h1-7,13H,8H2,(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeyYYMMPWKKPKQIJU-ZDUSSCGKSA-N
MW350.80 g/mol
LogP3.92
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 9146240) has the molecular formula C16H12ClFN2O2S and a molecular weight of 350.80 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID9146240
Molecular FormulaC16H12ClFN2O2S
Molecular Weight350.80 g/mol
Exact Mass350.03
IUPAC NameN-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESO=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C16H12ClFN2O2S/c17-9-4-3-6-11(15(9)18)19-14(21)8-13-16(22)20-10-5-1-2-7-12(10)23-13/h1-7,13H,8H2,(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeyYYMMPWKKPKQIJU-ZDUSSCGKSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2945832
N-(4-chloro-2-fluorophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9211540
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2852355
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 3147420
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino] 2-chlorobenzoate
CID 6976517
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26877317
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1080513
N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9211933
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9409919
N-(2-chlorophenyl)-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 1016005

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 9146240) is N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is YYMMPWKKPKQIJU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H12ClFN2O2S/c17-9-4-3-6-11(15(9)18)19-14(21)8-13-16(22)20-10-5-1-2-7-12(10)23-13/h1-7,13H,8H2,(H,19,21)(H,20,22)/t13-/m0/s1.
What are the key properties of N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 350.80 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 9146240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).