6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide

C7H3BrClNO2S — CID 14154299

IUPAC6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(Cl)c2ccc(Br)cc21
InChIInChI=1S/C7H3BrClNO2S/c8-4-1-2-5-6(3-4)13(11,12)10-7(5)9/h1-3H
InChIKeyGCZATFRLSCYOLO-UHFFFAOYSA-N
MW280.53 g/mol
LogP2.14
Rot. Bonds

About 6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide

6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide (PubChem CID 14154299) has the molecular formula C7H3BrClNO2S and a molecular weight of 280.53 g/mol. Its IUPAC name is 6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide
PubChem CID14154299
Molecular FormulaC7H3BrClNO2S
Molecular Weight280.53 g/mol
Exact Mass278.88
IUPAC Name6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(Cl)c2ccc(Br)cc21
InChIInChI=1S/C7H3BrClNO2S/c8-4-1-2-5-6(3-4)13(11,12)10-7(5)9/h1-3H
InChIKeyGCZATFRLSCYOLO-UHFFFAOYSA-N
XLogP2.14
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.53
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide (CID 14154299) is 6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide is O=S1(=O)N=C(Cl)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide?
The InChIKey is GCZATFRLSCYOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNO2S/c8-4-1-2-5-6(3-4)13(11,12)10-7(5)9/h1-3H.
What are the key properties of 6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide?
6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide has a molecular weight of 280.53 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 14154299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).