4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole

C11H9BrN4O3S — CID 17374330

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole
SMILESCc1nn(S(=O)(=O)c2cccc3nonc23)c(C)c1Br
InChIInChI=1S/C11H9BrN4O3S/c1-6-10(12)7(2)16(13-6)20(17,18)9-5-3-4-8-11(9)15-19-14-8/h3-5H,1-2H3
InChIKeyRRGZBFLGQNLGCI-UHFFFAOYSA-N
MW357.19 g/mol
LogP2.04
Rot. Bonds2

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole

4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole (PubChem CID 17374330) has the molecular formula C11H9BrN4O3S and a molecular weight of 357.19 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole
PubChem CID17374330
Molecular FormulaC11H9BrN4O3S
Molecular Weight357.19 g/mol
Exact Mass355.96
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole
SMILESCc1nn(S(=O)(=O)c2cccc3nonc23)c(C)c1Br
InChIInChI=1S/C11H9BrN4O3S/c1-6-10(12)7(2)16(13-6)20(17,18)9-5-3-4-8-11(9)15-19-14-8/h3-5H,1-2H3
InChIKeyRRGZBFLGQNLGCI-UHFFFAOYSA-N
XLogP2.04
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22206007
4-(3,5-Dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 6465281
4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-2,1,3-benzothiadiazole
CID 6470328
4-(1H-pyrazol-1-ylsulfonyl)-2,1,3-benzoxadiazole
CID 19683514
4-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-2,1,3-benzoxadiazole
CID 19683533
N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22208673
4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-2,1,3-benzoxadiazole
CID 6469374
4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-2,1,3-benzothiadiazole
CID 17378631
1-(Benzo[c]1,2,5-oxadiazol-4-ylsulfonyl)-4-chloropyrazole
CID 17379632
4-(4-Bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole
CID 22200736
4-(4-Bromopyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 22200747
N-(1,3,5-trimethylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22203632

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole (CID 17374330) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole is Cc1nn(S(=O)(=O)c2cccc3nonc23)c(C)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The InChIKey is RRGZBFLGQNLGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O3S/c1-6-10(12)7(2)16(13-6)20(17,18)9-5-3-4-8-11(9)15-19-14-8/h3-5H,1-2H3.
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole has a molecular weight of 357.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 17374330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).