[4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone

C19H16F2N2O4S — CID 53125597

IUPAC[4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1=CN(c2cc(F)cc(F)c2)c2ccccc2S1(=O)=O)N1CCOCC1
InChIInChI=1S/C19H16F2N2O4S/c20-13-9-14(21)11-15(10-13)23-12-18(19(24)22-5-7-27-8-6-22)28(25,26)17-4-2-1-3-16(17)23/h1-4,9-12H,5-8H2
InChIKeyHDXQLPPLJQEORP-UHFFFAOYSA-N
MW406.41 g/mol
LogP2.59
Rot. Bonds2

About [4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone

[4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 53125597) has the molecular formula C19H16F2N2O4S and a molecular weight of 406.41 g/mol. Its IUPAC name is [4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone
PubChem CID53125597
Molecular FormulaC19H16F2N2O4S
Molecular Weight406.41 g/mol
Exact Mass406.08
IUPAC Name[4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1=CN(c2cc(F)cc(F)c2)c2ccccc2S1(=O)=O)N1CCOCC1
InChIInChI=1S/C19H16F2N2O4S/c20-13-9-14(21)11-15(10-13)23-12-18(19(24)22-5-7-27-8-6-22)28(25,26)17-4-2-1-3-16(17)23/h1-4,9-12H,5-8H2
InChIKeyHDXQLPPLJQEORP-UHFFFAOYSA-N
XLogP2.59
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_66_one(8)', 'substructure': 'N/A'}

Analyze [4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-bromo-3-methylphenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone
CID 46390736
[4-(3-fluoro-4-methylphenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-piperidin-1-ylmethanone
CID 50928462
[6-chloro-4-(3,4-dichlorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone
CID 91887055
[6-chloro-4-(4-methoxyphenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone
CID 53125669
(4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone
CID 51364559
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
[1-[(3,5-difluorophenyl)methyl]-7-methyl-4,4-dioxo-4λ6,1,2-benzothiadiazin-3-yl]-morpholin-4-ylmethanone
CID 53151575
[1,1-dioxo-4-[3-(trifluoromethyl)phenyl]-1λ6,4-benzothiazin-2-yl]-phenylmethanone
CID 46296960
[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 110869127
2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
CID 4933006
1-[2-(morpholine-4-carbonyl)phenyl]pyridin-2-one
CID 6425155

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone (CID 53125597) is [4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone is O=C(C1=CN(c2cc(F)cc(F)c2)c2ccccc2S1(=O)=O)N1CCOCC1.
What is the InChIKey of [4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is HDXQLPPLJQEORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4S/c20-13-9-14(21)11-15(10-13)23-12-18(19(24)22-5-7-27-8-6-22)28(25,26)17-4-2-1-3-16(17)23/h1-4,9-12H,5-8H2.
What are the key properties of [4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone?
[4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 406.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53125597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).