(2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone

C20H14FNO4S — CID 21203809

IUPAC(2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone
SMILESCOc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(=O)c1ccccc1F
InChIInChI=1S/C20H14FNO4S/c1-26-13-10-11-18-16(12-13)14-6-3-5-9-19(14)27(24,25)22(18)20(23)15-7-2-4-8-17(15)21/h2-12H,1H3
InChIKeyMYDJAGJACDZUDL-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.85
Rot. Bonds2

About (2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone

(2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone (PubChem CID 21203809) has the molecular formula C20H14FNO4S and a molecular weight of 383.40 g/mol. Its IUPAC name is (2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone
PubChem CID21203809
Molecular FormulaC20H14FNO4S
Molecular Weight383.40 g/mol
Exact Mass383.06
IUPAC Name(2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone
SMILESCOc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(=O)c1ccccc1F
InChIInChI=1S/C20H14FNO4S/c1-26-13-10-11-18-16(12-13)14-6-3-5-9-19(14)27(24,25)22(18)20(23)15-7-2-4-8-17(15)21/h2-12H,1H3
InChIKeyMYDJAGJACDZUDL-UHFFFAOYSA-N
XLogP3.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone
CID 21203814
(3,4-dimethoxyphenyl)-(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone
CID 21203823
(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone
CID 3637684
2-(3-methoxybenzoyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 70586777
[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113077801
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
[4-(2-bromo-5-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78849945
(2-fluorophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289197
(2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 3348086
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218865
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone (CID 21203809) is (2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone is COc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(=O)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone?
The InChIKey is MYDJAGJACDZUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO4S/c1-26-13-10-11-18-16(12-13)14-6-3-5-9-19(14)27(24,25)22(18)20(23)15-7-2-4-8-17(15)21/h2-12H,1H3.
What are the key properties of (2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone?
(2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone has a molecular weight of 383.40 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)methanone is sourced from PubChem (CID 21203809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).