4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole

C9H5BrF2N2O2S — CID 6469422

IUPAC4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1cc(F)ccc1F)n1cc(Br)cn1
InChIInChI=1S/C9H5BrF2N2O2S/c10-6-4-13-14(5-6)17(15,16)9-3-7(11)1-2-8(9)12/h1-5H
InChIKeyFGTQVXREMOJNEJ-UHFFFAOYSA-N
MW323.12 g/mol
LogP2.16
Rot. Bonds2

About 4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole

4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole (PubChem CID 6469422) has the molecular formula C9H5BrF2N2O2S and a molecular weight of 323.12 g/mol. Its IUPAC name is 4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole
PubChem CID6469422
Molecular FormulaC9H5BrF2N2O2S
Molecular Weight323.12 g/mol
Exact Mass321.92
IUPAC Name4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1cc(F)ccc1F)n1cc(Br)cn1
InChIInChI=1S/C9H5BrF2N2O2S/c10-6-4-13-14(5-6)17(15,16)9-3-7(11)1-2-8(9)12/h1-5H
InChIKeyFGTQVXREMOJNEJ-UHFFFAOYSA-N
XLogP2.16
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-1-(phenylsulfonyl)pyrazole
CID 6468394
4-chloro-1-[(4-fluorophenyl)sulfonyl]-1H-pyrazole
CID 1225527
1-Benzenesulfonylpyrazole
CID 588934
1-((2-Bromophenyl)sulfonyl)-1H-pyrazole
CID 26370015
4-chloro-1-[(3,4-difluorophenyl)sulfonyl]-1H-pyrazole
CID 6467817
4-chloro-1-[(2,5-difluorophenyl)sulfonyl]-1H-pyrazole
CID 6470354
1-((4-Bromophenyl)sulfonyl)-1H-pyrazole
CID 844586
1-Benzenesulfonyl-4-bromo-5-trimethylsilanyl-1h-pyrazole
CID 5324096
1-[(4-fluorophenyl)sulfonyl]-1H-pyrazole
CID 4657111
1h-Pyrazol-1-yl benzenesulfonamide
CID 22315462
1-(2,4,5-Trifluorophenyl)sulfonylpyrazole
CID 89544349
N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide
CID 165103279

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole?
The IUPAC name of 4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole (CID 6469422) is 4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole.
What is the SMILES notation for 4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole?
The canonical SMILES for 4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole is O=S(=O)(c1cc(F)ccc1F)n1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole?
The InChIKey is FGTQVXREMOJNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2O2S/c10-6-4-13-14(5-6)17(15,16)9-3-7(11)1-2-8(9)12/h1-5H.
What are the key properties of 4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole?
4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole has a molecular weight of 323.12 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2,5-difluorophenyl)sulfonylpyrazole is sourced from PubChem (CID 6469422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).