N-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide

C23H17FN2O4S — CID 1289358

IUPACN-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide
SMILESCN1C(C(=O)c2ccccc2)=C(NC(=O)c2ccc(F)cc2)c2ccccc2S1(=O)=O
InChIInChI=1S/C23H17FN2O4S/c1-26-21(22(27)15-7-3-2-4-8-15)20(18-9-5-6-10-19(18)31(26,29)30)25-23(28)16-11-13-17(24)14-12-16/h2-14H,1H3,(H,25,28)
InChIKeyLXMYOAYWOOLVMF-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.44
Rot. Bonds4

About N-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide

N-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide (PubChem CID 1289358) has the molecular formula C23H17FN2O4S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide
PubChem CID1289358
Molecular FormulaC23H17FN2O4S
Molecular Weight436.46 g/mol
Exact Mass436.09
IUPAC NameN-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide
SMILESCN1C(C(=O)c2ccccc2)=C(NC(=O)c2ccc(F)cc2)c2ccccc2S1(=O)=O
InChIInChI=1S/C23H17FN2O4S/c1-26-21(22(27)15-7-3-2-4-8-15)20(18-9-5-6-10-19(18)31(26,29)30)25-23(28)16-11-13-17(24)14-12-16/h2-14H,1H3,(H,25,28)
InChIKeyLXMYOAYWOOLVMF-UHFFFAOYSA-N
XLogP3.44
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzoyl-1,1-dioxido-2-pentyl-2H-1,2-benzothiazin-4-yl)-2-chlorobenzamide
CID 1984969
N-[1,1-dioxido-2-pentyl-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl]acetamide
CID 1993148
N-[1,1-dioxido-2-pentyl-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl]-4-methylbenzamide
CID 1993816
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-fluoro-benzamide
CID 130431454
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluoro-benzamide
CID 130431465
{2-methyl-4-[(2-methylphenyl)amino]-1,1-dioxido-2H-1,2-benzothiazin-3-yl}(phenyl)methanone
CID 1043060
{2-methyl-4-[(4-methylphenyl)amino]-1,1-dioxido-2H-1,2-benzothiazin-3-yl}(phenyl)methanone
CID 1326081
1-(4-bromophenyl)-2-[4-(ethylamino)-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-2-yl]ethanone
CID 2039544
[4-(dibutylamino)-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-3-yl](phenyl)methanone
CID 3461032
{2-ethyl-4-[(2-methylphenyl)amino]-1,1-dioxido-2H-1,2-benzothiazin-3-yl}(phenyl)methanone
CID 12005482
N-benzhydryl-5-(3,5-dimethylpiperidin-1-ylsulfonyl)-2-fluorobenzamide
CID 16000037
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-fluoro-benzamide
CID 134815298

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide?
The IUPAC name of N-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide (CID 1289358) is N-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide?
The canonical SMILES for N-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide is CN1C(C(=O)c2ccccc2)=C(NC(=O)c2ccc(F)cc2)c2ccccc2S1(=O)=O.
What is the InChIKey of N-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide?
The InChIKey is LXMYOAYWOOLVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O4S/c1-26-21(22(27)15-7-3-2-4-8-15)20(18-9-5-6-10-19(18)31(26,29)30)25-23(28)16-11-13-17(24)14-12-16/h2-14H,1H3,(H,25,28).
What are the key properties of N-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide?
N-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide has a molecular weight of 436.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl)-4-fluorobenzamide is sourced from PubChem (CID 1289358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).