7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H9BrN2O2S — CID 67530722

IUPAC7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(C2CC2)c2ccc(Br)cc21
InChIInChI=1S/C10H9BrN2O2S/c11-7-1-4-9-10(5-7)16(14,15)12-6-13(9)8-2-3-8/h1,4-6,8H,2-3H2
InChIKeyDYKBKZZBFDZSAK-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.15
Rot. Bonds1

About 7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 67530722) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID67530722
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(C2CC2)c2ccc(Br)cc21
InChIInChI=1S/C10H9BrN2O2S/c11-7-1-4-9-10(5-7)16(14,15)12-6-13(9)8-2-3-8/h1,4-6,8H,2-3H2
InChIKeyDYKBKZZBFDZSAK-UHFFFAOYSA-N
XLogP2.15
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine
CID 67530308
6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 67529370
4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 67531143
6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 44608189
7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine
CID 26599007
2,3,7-tribromo-10-methylphenothiazine 5,5-dioxide
CID 69154947
1-(3,7-dibromo-5,5-dioxophenothiazin-10-yl)ethanone
CID 168873068
7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one
CID 117006372
(4S)-7-bromo-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 131128665
2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine
CID 84645730
6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide
CID 14154299
6-bromo-2,2,4-trimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide
CID 84644770

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 67530722) is 7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CN(C2CC2)c2ccc(Br)cc21.
What is the InChIKey of 7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is DYKBKZZBFDZSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c11-7-1-4-9-10(5-7)16(14,15)12-6-13(9)8-2-3-8/h1,4-6,8H,2-3H2.
What are the key properties of 7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 301.17 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 67530722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).