1-(benzenesulfonyl)-4-bromopyrazole

C9H7BrN2O2S — CID 6468394

IUPAC1-(benzenesulfonyl)-4-bromopyrazole
SMILESO=S(=O)(c1ccccc1)n1cc(Br)cn1
InChIInChI=1S/C9H7BrN2O2S/c10-8-6-11-12(7-8)15(13,14)9-4-2-1-3-5-9/h1-7H
InChIKeySAQVJLOSQUFTDU-UHFFFAOYSA-N
MW287.14 g/mol
LogP1.88
Rot. Bonds2

About 1-(benzenesulfonyl)-4-bromopyrazole

1-(benzenesulfonyl)-4-bromopyrazole (PubChem CID 6468394) has the molecular formula C9H7BrN2O2S and a molecular weight of 287.14 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-bromopyrazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-bromopyrazole
PubChem CID6468394
Molecular FormulaC9H7BrN2O2S
Molecular Weight287.14 g/mol
Exact Mass285.94
IUPAC Name1-(benzenesulfonyl)-4-bromopyrazole
SMILESO=S(=O)(c1ccccc1)n1cc(Br)cn1
InChIInChI=1S/C9H7BrN2O2S/c10-8-6-11-12(7-8)15(13,14)9-4-2-1-3-5-9/h1-7H
InChIKeySAQVJLOSQUFTDU-UHFFFAOYSA-N
XLogP1.88
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-(3-nitrophenyl)sulfonylpyrazole
CID 2170525
1-benzylsulfonyl-4-bromopyrazole
CID 22200735
4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole
CID 22200738
1-(benzenesulfonyl)-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyrazole
CID 53406834
1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole
CID 130252961
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-bromopyrimidine
CID 39660614
1-(benzenesulfonyl)-2,5-dibromopyrrole
CID 71523732
1-(benzenesulfonyl)-3-bromo-4-methylpyrrole
CID 122370030
methyl 1-(benzenesulfonyl)-4-bromopyrazole-3-carboxylate
CID 23537687
1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 19282977
1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole
CID 110534917
1-(benzenesulfonyl)-4-ethylpyrazol-3-amine
CID 972867

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-bromopyrazole?
The IUPAC name of 1-(benzenesulfonyl)-4-bromopyrazole (CID 6468394) is 1-(benzenesulfonyl)-4-bromopyrazole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-bromopyrazole?
The canonical SMILES for 1-(benzenesulfonyl)-4-bromopyrazole is O=S(=O)(c1ccccc1)n1cc(Br)cn1.
What is the InChIKey of 1-(benzenesulfonyl)-4-bromopyrazole?
The InChIKey is SAQVJLOSQUFTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2S/c10-8-6-11-12(7-8)15(13,14)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 1-(benzenesulfonyl)-4-bromopyrazole?
1-(benzenesulfonyl)-4-bromopyrazole has a molecular weight of 287.14 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-bromopyrazole is sourced from PubChem (CID 6468394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).