7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C8H7BrN2O2S2 — CID 10881351

IUPAC7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCSC1=NS(=O)(=O)c2cc(Br)ccc2N1
InChIInChI=1S/C8H7BrN2O2S2/c1-14-8-10-6-3-2-5(9)4-7(6)15(12,13)11-8/h2-4H,1H3,(H,10,11)
InChIKeyUGMKRFVDCCXOLO-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.28
Rot. Bonds

About 7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 10881351) has the molecular formula C8H7BrN2O2S2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID10881351
Molecular FormulaC8H7BrN2O2S2
Molecular Weight307.19 g/mol
Exact Mass305.91
IUPAC Name7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCSC1=NS(=O)(=O)c2cc(Br)ccc2N1
InChIInChI=1S/C8H7BrN2O2S2/c1-14-8-10-6-3-2-5(9)4-7(6)15(12,13)11-8/h2-4H,1H3,(H,10,11)
InChIKeyUGMKRFVDCCXOLO-UHFFFAOYSA-N
XLogP2.28
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 10881351) is 7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CSC1=NS(=O)(=O)c2cc(Br)ccc2N1.
What is the InChIKey of 7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is UGMKRFVDCCXOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2S2/c1-14-8-10-6-3-2-5(9)4-7(6)15(12,13)11-8/h2-4H,1H3,(H,10,11).
What are the key properties of 7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 307.19 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 10881351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).