(5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone

C20H14ClNO3S — CID 123219598

IUPAC(5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone
SMILESCN1C(C(=O)c2ccc3ccccc3c2)=Cc2c(Cl)cccc2S1(=O)=O
InChIInChI=1S/C20H14ClNO3S/c1-22-18(12-16-17(21)7-4-8-19(16)26(22,24)25)20(23)15-10-9-13-5-2-3-6-14(13)11-15/h2-12H,1H3
InChIKeyBGDITPVTUJVOSI-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.35
Rot. Bonds2

About (5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone

(5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone (PubChem CID 123219598) has the molecular formula C20H14ClNO3S and a molecular weight of 383.86 g/mol. Its IUPAC name is (5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone
PubChem CID123219598
Molecular FormulaC20H14ClNO3S
Molecular Weight383.86 g/mol
Exact Mass383.04
IUPAC Name(5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone
SMILESCN1C(C(=O)c2ccc3ccccc3c2)=Cc2c(Cl)cccc2S1(=O)=O
InChIInChI=1S/C20H14ClNO3S/c1-22-18(12-16-17(21)7-4-8-19(16)26(22,24)25)20(23)15-10-9-13-5-2-3-6-14(13)11-15/h2-12H,1H3
InChIKeyBGDITPVTUJVOSI-UHFFFAOYSA-N
XLogP4.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone with MolForge

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Related Compounds

(5-chloro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone
CID 46908305
dinaphthalen-2-ylmethanone
CID 10945915
(4-butoxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone;(2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone
CID 158330362
N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368448
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
(5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone
CID 114970356
2-naphthalen-2-yl-2-oxoacetyl chloride
CID 19347531
(3E)-7-fluoro-3-[hydroxy(naphthalen-2-yl)methylidene]-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-one
CID 46871944
1-(4-chlorophenyl)-2-(6-methyl-5,5-dioxopyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanylethanone
CID 20938878

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone (CID 123219598) is (5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone is CN1C(C(=O)c2ccc3ccccc3c2)=Cc2c(Cl)cccc2S1(=O)=O.
What is the InChIKey of (5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone?
The InChIKey is BGDITPVTUJVOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO3S/c1-22-18(12-16-17(21)7-4-8-19(16)26(22,24)25)20(23)15-10-9-13-5-2-3-6-14(13)11-15/h2-12H,1H3.
What are the key properties of (5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone?
(5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone has a molecular weight of 383.86 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 123219598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).