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

C9H5BrN4O3S — CID 22200736

IUPAC4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1cccc2nonc12)n1cc(Br)cn1
InChIInChI=1S/C9H5BrN4O3S/c10-6-4-11-14(5-6)18(15,16)8-3-1-2-7-9(8)13-17-12-7/h1-5H
InChIKeyOJIBPVOBDXGGOL-UHFFFAOYSA-N
MW329.14 g/mol
LogP1.42
Rot. Bonds2

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

4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole (PubChem CID 22200736) has the molecular formula C9H5BrN4O3S and a molecular weight of 329.14 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole
PubChem CID22200736
Molecular FormulaC9H5BrN4O3S
Molecular Weight329.14 g/mol
Exact Mass327.93
IUPAC Name4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1cccc2nonc12)n1cc(Br)cn1
InChIInChI=1S/C9H5BrN4O3S/c10-6-4-11-14(5-6)18(15,16)8-3-1-2-7-9(8)13-17-12-7/h1-5H
InChIKeyOJIBPVOBDXGGOL-UHFFFAOYSA-N
XLogP1.42
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The IUPAC name of 4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole (CID 22200736) is 4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole is O=S(=O)(c1cccc2nonc12)n1cc(Br)cn1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
The InChIKey is OJIBPVOBDXGGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4O3S/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-bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole?
4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole has a molecular weight of 329.14 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 22200736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).