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

C9H5BrN4O2S2 — CID 22200747

IUPAC4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)n1cc(Br)cn1
InChIInChI=1S/C9H5BrN4O2S2/c10-6-4-11-14(5-6)18(15,16)8-3-1-2-7-9(8)13-17-12-7/h1-5H
InChIKeyLIPKGOPBLRDSQR-UHFFFAOYSA-N
MW345.20 g/mol
LogP1.89
Rot. Bonds2

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

4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole (PubChem CID 22200747) has the molecular formula C9H5BrN4O2S2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole
PubChem CID22200747
Molecular FormulaC9H5BrN4O2S2
Molecular Weight345.20 g/mol
Exact Mass343.90
IUPAC Name4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)n1cc(Br)cn1
InChIInChI=1S/C9H5BrN4O2S2/c10-6-4-11-14(5-6)18(15,16)8-3-1-2-7-9(8)13-17-12-7/h1-5H
InChIKeyLIPKGOPBLRDSQR-UHFFFAOYSA-N
XLogP1.89
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 51.89
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-benzothiadiazole?
The IUPAC name of 4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole (CID 22200747) is 4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole is O=S(=O)(c1cccc2nsnc12)n1cc(Br)cn1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The InChIKey is LIPKGOPBLRDSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4O2S2/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-benzothiadiazole?
4-(4-bromopyrazol-1-yl)sulfonyl-2,1,3-benzothiadiazole has a molecular weight of 345.20 g/mol, XLogP of 1.89, 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-benzothiadiazole is sourced from PubChem (CID 22200747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).