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

C11H9ClN4O2S2 — CID 6470328

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole
SMILESCc1nn(S(=O)(=O)c2cccc3nsnc23)c(C)c1Cl
InChIInChI=1S/C11H9ClN4O2S2/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
InChIKeyHKCUFUHBMIVRIJ-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.40
Rot. Bonds2

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

4-(4-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole (PubChem CID 6470328) has the molecular formula C11H9ClN4O2S2 and a molecular weight of 328.81 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole
PubChem CID6470328
Molecular FormulaC11H9ClN4O2S2
Molecular Weight328.81 g/mol
Exact Mass327.99
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole
SMILESCc1nn(S(=O)(=O)c2cccc3nsnc23)c(C)c1Cl
InChIInChI=1S/C11H9ClN4O2S2/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
InChIKeyHKCUFUHBMIVRIJ-UHFFFAOYSA-N
XLogP2.40
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole (CID 6470328) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole is Cc1nn(S(=O)(=O)c2cccc3nsnc23)c(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The InChIKey is HKCUFUHBMIVRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S2/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-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole has a molecular weight of 328.81 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 6470328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).