5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide

C16H11NO2S — CID 13352854

IUPAC5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide
SMILESO=S1(=O)Nc2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C16H11NO2S/c18-20(19)16-10-12-6-2-1-5-11(12)9-14(16)13-7-3-4-8-15(13)17-20/h1-10,17H
InChIKeyMLBFKQSJRIPUPP-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.62
Rot. Bonds

About 5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide

5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide (PubChem CID 13352854) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide.

Molecular Properties

Compound Name5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide
PubChem CID13352854
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide
SMILESO=S1(=O)Nc2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C16H11NO2S/c18-20(19)16-10-12-6-2-1-5-11(12)9-14(16)13-7-3-4-8-15(13)17-20/h1-10,17H
InChIKeyMLBFKQSJRIPUPP-UHFFFAOYSA-N
XLogP3.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dioxo-6H-benzo[c][1,2]benzothiazepin-11-one
CID 10978163
8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
CID 54131272
ethane;2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 91474552
3-methylidene-2,2-dioxo-1H-2lambda6,1-benzothiazin-4-one
CID 18730791
CID 67677158
CID 67677158
1,1-dioxo-1,2-benzothiazol-3-one;hydron
CID 135264124
1,1-dioxo-1,2-benzothiazol-3-one;iron
CID 175330188
copper(1+);1,1-dioxo-1,2-benzothiazol-3-one
CID 23615957
1,1-dioxo-1,2-benzothiazol-3-one;hydrate
CID 66978509
1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt
CID 69118459
1H-thiazeto[4,3-b]quinoline 2,2-dioxide
CID 54411529
2,2-dioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-4-one
CID 15542772

Frequently Asked Questions

What is the IUPAC name of 5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide?
The IUPAC name of 5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide (CID 13352854) is 5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide.
What is the SMILES notation for 5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide?
The canonical SMILES for 5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide is O=S1(=O)Nc2ccccc2-c2cc3ccccc3cc21.
What is the InChIKey of 5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide?
The InChIKey is MLBFKQSJRIPUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2S/c18-20(19)16-10-12-6-2-1-5-11(12)9-14(16)13-7-3-4-8-15(13)17-20/h1-10,17H.
What are the key properties of 5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide?
5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide has a molecular weight of 281.34 g/mol, XLogP of 3.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-naphtho[2,3-c][2,1]benzothiazine 6,6-dioxide is sourced from PubChem (CID 13352854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).