10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide

C13H10BrNO2S — CID 162698892

IUPAC10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCc1ccc2c(c1)-c1c(Br)cccc1NS2(=O)=O
InChIInChI=1S/C13H10BrNO2S/c1-8-5-6-12-9(7-8)13-10(14)3-2-4-11(13)15-18(12,16)17/h2-7,15H,1H3
InChIKeyDNLDDIVEVFUPKM-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.54
Rot. Bonds

About 10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide

10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide (PubChem CID 162698892) has the molecular formula C13H10BrNO2S and a molecular weight of 324.20 g/mol. Its IUPAC name is 10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide.

Molecular Properties

Compound Name10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
PubChem CID162698892
Molecular FormulaC13H10BrNO2S
Molecular Weight324.20 g/mol
Exact Mass322.96
IUPAC Name10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCc1ccc2c(c1)-c1c(Br)cccc1NS2(=O)=O
InChIInChI=1S/C13H10BrNO2S/c1-8-5-6-12-9(7-8)13-10(14)3-2-4-11(13)15-18(12,16)17/h2-7,15H,1H3
InChIKeyDNLDDIVEVFUPKM-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide?
The IUPAC name of 10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide (CID 162698892) is 10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide.
What is the SMILES notation for 10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide?
The canonical SMILES for 10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide is Cc1ccc2c(c1)-c1c(Br)cccc1NS2(=O)=O.
What is the InChIKey of 10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide?
The InChIKey is DNLDDIVEVFUPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2S/c1-8-5-6-12-9(7-8)13-10(14)3-2-4-11(13)15-18(12,16)17/h2-7,15H,1H3.
What are the key properties of 10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide?
10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide has a molecular weight of 324.20 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-2-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide is sourced from PubChem (CID 162698892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).