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

C11H10N4O3S — CID 19683533

IUPAC4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole
SMILESCc1cc(C)n(S(=O)(=O)c2cccc3nonc23)n1
InChIInChI=1S/C11H10N4O3S/c1-7-6-8(2)15(12-7)19(16,17)10-5-3-4-9-11(10)14-18-13-9/h3-6H,1-2H3
InChIKeyMJNVIMDSXVAIKF-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.27
Rot. Bonds2

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

4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole (PubChem CID 19683533) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole
PubChem CID19683533
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole
SMILESCc1cc(C)n(S(=O)(=O)c2cccc3nonc23)n1
InChIInChI=1S/C11H10N4O3S/c1-7-6-8(2)15(12-7)19(16,17)10-5-3-4-9-11(10)14-18-13-9/h3-6H,1-2H3
InChIKeyMJNVIMDSXVAIKF-UHFFFAOYSA-N
XLogP1.27
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 712285
1-[(2-nitrophenyl)sulfonyl]-1H-1,2,3-benzotriazole
CID 1376058
N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 6467616
2,1,3-Benzoxadiazole-4-sulfonamide
CID 2756590
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22206007
N-(2H-tetrazol-5-yl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 172434004
1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole
CID 828794
4-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole
CID 15994053
2-methyl-2H-1,2,3-benzotriazole-4-sulfonamide
CID 165893402
4-Pyrrolidin-1-ylsulfonyl-2,1,3-benzoxadiazole
CID 5211140
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

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole (CID 19683533) is 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole is Cc1cc(C)n(S(=O)(=O)c2cccc3nonc23)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The InChIKey is MJNVIMDSXVAIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c1-7-6-8(2)15(12-7)19(16,17)10-5-3-4-9-11(10)14-18-13-9/h3-6H,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole has a molecular weight of 278.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 19683533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).