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

C11H10N4O2S2 — CID 6465281

IUPAC4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole
SMILESCc1cc(C)n(S(=O)(=O)c2cccc3nsnc23)n1
InChIInChI=1S/C11H10N4O2S2/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
InChIKeyFRDWRYHVFRBZEK-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.74
Rot. Bonds2

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

4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole (PubChem CID 6465281) has the molecular formula C11H10N4O2S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole
PubChem CID6465281
Molecular FormulaC11H10N4O2S2
Molecular Weight294.36 g/mol
Exact Mass294.02
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole
SMILESCc1cc(C)n(S(=O)(=O)c2cccc3nsnc23)n1
InChIInChI=1S/C11H10N4O2S2/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
InChIKeyFRDWRYHVFRBZEK-UHFFFAOYSA-N
XLogP1.74
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,1,3-Benzothiadiazole-4-sulfonamide
CID 1382090
N,N-Dimethyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 541928
4-(Pyrrolidine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 3245186
2-methyl-2H-benzo[d][1,2,3]triazole-4-sulfonyl chloride
CID 55279547
2-methyl-2H-1,2,3-benzotriazole-4-sulfonamide
CID 165893402
4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-2,1,3-benzothiadiazole
CID 6470328
4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-2,1,3-benzoxadiazole
CID 17374330
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-[(3S)-1,1-dioxothiolan-3-yl]-2-methylbenzotriazole-4-sulfonamide
CID 129620455
2,1,3-Benzothiadiazole-4-sulfonohydrazide
CID 586055
Thioxotriazolo benzensulfonamide
CID 166594792

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole (CID 6465281) is 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole is Cc1cc(C)n(S(=O)(=O)c2cccc3nsnc23)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The InChIKey is FRDWRYHVFRBZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S2/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-benzothiadiazole?
4-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole has a molecular weight of 294.36 g/mol, XLogP of 1.74, 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-benzothiadiazole is sourced from PubChem (CID 6465281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).