7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

C8H8BrNO2S — CID 83825828

IUPAC7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESO=S1(=O)CCNc2ccc(Br)cc21
InChIInChI=1S/C8H8BrNO2S/c9-6-1-2-7-8(5-6)13(11,12)4-3-10-7/h1-2,5,10H,3-4H2
InChIKeyHZHCJNTYEFVZDJ-UHFFFAOYSA-N
MW262.13 g/mol
LogP1.65
Rot. Bonds

About 7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 83825828) has the molecular formula C8H8BrNO2S and a molecular weight of 262.13 g/mol. Its IUPAC name is 7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID83825828
Molecular FormulaC8H8BrNO2S
Molecular Weight262.13 g/mol
Exact Mass260.95
IUPAC Name7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESO=S1(=O)CCNc2ccc(Br)cc21
InChIInChI=1S/C8H8BrNO2S/c9-6-1-2-7-8(5-6)13(11,12)4-3-10-7/h1-2,5,10H,3-4H2
InChIKeyHZHCJNTYEFVZDJ-UHFFFAOYSA-N
XLogP1.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (CID 83825828) is 7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is O=S1(=O)CCNc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is HZHCJNTYEFVZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2S/c9-6-1-2-7-8(5-6)13(11,12)4-3-10-7/h1-2,5,10H,3-4H2.
What are the key properties of 7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide has a molecular weight of 262.13 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 83825828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).