4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole

C9H5ClN4O3S — CID 17379632

IUPAC4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1cccc2nonc12)n1cc(Cl)cn1
InChIInChI=1S/C9H5ClN4O3S/c10-6-4-11-14(5-6)18(15,16)8-3-1-2-7-9(8)13-17-12-7/h1-5H
InChIKeyLKOBACMNKNMYEJ-UHFFFAOYSA-N
MW284.68 g/mol
LogP1.31
Rot. Bonds2

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

4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole (PubChem CID 17379632) has the molecular formula C9H5ClN4O3S and a molecular weight of 284.68 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole
PubChem CID17379632
Molecular FormulaC9H5ClN4O3S
Molecular Weight284.68 g/mol
Exact Mass283.98
IUPAC Name4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1cccc2nonc12)n1cc(Cl)cn1
InChIInChI=1S/C9H5ClN4O3S/c10-6-4-11-14(5-6)18(15,16)8-3-1-2-7-9(8)13-17-12-7/h1-5H
InChIKeyLKOBACMNKNMYEJ-UHFFFAOYSA-N
XLogP1.31
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.68
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The IUPAC name of 4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole (CID 17379632) is 4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole is O=S(=O)(c1cccc2nonc12)n1cc(Cl)cn1.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The InChIKey is LKOBACMNKNMYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4O3S/c10-6-4-11-14(5-6)18(15,16)8-3-1-2-7-9(8)13-17-12-7/h1-5H.
What are the key properties of 4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole has a molecular weight of 284.68 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 17379632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).