7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H6BrClN4O2S — CID 11485244

IUPAC7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(n2ccnc2)Nc2cc(Cl)c(Br)cc21
InChIInChI=1S/C10H6BrClN4O2S/c11-6-3-9-8(4-7(6)12)14-10(15-19(9,17)18)16-2-1-13-5-16/h1-5H,(H,14,15)
InChIKeyKPOYZYPNJNYWMC-UHFFFAOYSA-N
MW361.61 g/mol
LogP2.32
Rot. Bonds

About 7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 11485244) has the molecular formula C10H6BrClN4O2S and a molecular weight of 361.61 g/mol. Its IUPAC name is 7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID11485244
Molecular FormulaC10H6BrClN4O2S
Molecular Weight361.61 g/mol
Exact Mass359.91
IUPAC Name7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(n2ccnc2)Nc2cc(Cl)c(Br)cc21
InChIInChI=1S/C10H6BrClN4O2S/c11-6-3-9-8(4-7(6)12)14-10(15-19(9,17)18)16-2-1-13-5-16/h1-5H,(H,14,15)
InChIKeyKPOYZYPNJNYWMC-UHFFFAOYSA-N
XLogP2.32
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.61
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide with MolForge

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Related Compounds

1-(2-bromo-6-chlorophenyl)imidazole
CID 169336697
6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one
CID 14317532
8-bromo-3-tert-butyl-7-chloro-2,3,4,5-tetrahydro-1λ6,2,5-benzothiadiazepine 1,1-dioxide
CID 174207247
5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide
CID 91620771
1-(3,5-dibromo-4-methylphenyl)imidazole
CID 67554928
4-chloro-5-imidazol-1-ylbenzene-1,2-diamine
CID 10081805
2,3,5-trichloro-6-imidazol-1-ylpyridine
CID 102752140
2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine
CID 141107266
2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62869973
7-chloro-N-ethyl-1,1-dioxo-N-pyridin-4-yl-4H-1λ6,2,4-benzothiadiazin-3-amine
CID 70238700
3-chloro-4-imidazol-1-ylbenzaldehyde
CID 23629424
1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole
CID 66076916

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 11485244) is 7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=C(n2ccnc2)Nc2cc(Cl)c(Br)cc21.
What is the InChIKey of 7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is KPOYZYPNJNYWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN4O2S/c11-6-3-9-8(4-7(6)12)14-10(15-19(9,17)18)16-2-1-13-5-16/h1-5H,(H,14,15).
What are the key properties of 7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 361.61 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 11485244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).