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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Related Compounds

methyl 3-chloro-1,1-dioxo-1,2-benzothiazole-6-carboxylate
CID 24699195
6-bromo-N-[(E)-(4-fluorophenyl)methylideneamino]-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine
CID 135352716
6-bromo-1,1-dioxo-1,2-benzothiazol-3-one
CID 160835942
3,7-dibromo-5,5-dimethyldibenzothiophene
CID 146356928
6-[4-(6-bromo-1,1-dioxo-1,2-benzothiazol-3-yl)phenoxy]-N-methylhexan-1-amine
CID 22446485
7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine
CID 26599007
7-bromo-3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 56693230
3-chloro-7-fluoro-1,2-benzothiazole 1,1-dioxide
CID 67043412
1-(6-bromo-1,1-dioxo-1-benzothiophen-3-yl)-N-methylpropan-2-amine
CID 117196246
1,6-dibromo-10,10-dioxothioxanthen-9-one
CID 135133754
4-bromo-1,2-bis(4-bromophenyl)benzene
CID 54378809
2,7-dibromophenanthrene-9,10-dione
CID 159425513

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).