4-chloro-1-(4-fluorophenyl)sulfonylpyrazole

C9H6ClFN2O2S — CID 1225527

IUPAC4-chloro-1-(4-fluorophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(F)cc1)n1cc(Cl)cn1
InChIInChI=1S/C9H6ClFN2O2S/c10-7-5-12-13(6-7)16(14,15)9-3-1-8(11)2-4-9/h1-6H
InChIKeyKRJAAMMIHPKKHM-UHFFFAOYSA-N
MW260.68 g/mol
LogP1.91
Rot. Bonds2

About 4-chloro-1-(4-fluorophenyl)sulfonylpyrazole

4-chloro-1-(4-fluorophenyl)sulfonylpyrazole (PubChem CID 1225527) has the molecular formula C9H6ClFN2O2S and a molecular weight of 260.68 g/mol. Its IUPAC name is 4-chloro-1-(4-fluorophenyl)sulfonylpyrazole.

Molecular Properties

Compound Name4-chloro-1-(4-fluorophenyl)sulfonylpyrazole
PubChem CID1225527
Molecular FormulaC9H6ClFN2O2S
Molecular Weight260.68 g/mol
Exact Mass259.98
IUPAC Name4-chloro-1-(4-fluorophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(F)cc1)n1cc(Cl)cn1
InChIInChI=1S/C9H6ClFN2O2S/c10-7-5-12-13(6-7)16(14,15)9-3-1-8(11)2-4-9/h1-6H
InChIKeyKRJAAMMIHPKKHM-UHFFFAOYSA-N
XLogP1.91
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)sulfonyl]-1H-pyrazole
CID 896241
1-(2,5-Dichlorophenyl)sulfonylpyrazole
CID 841147
4-Bromo-1-(phenylsulfonyl)pyrazole
CID 6468394
1-Benzenesulfonylpyrazole
CID 588934
4-chloro-1-[(3,4-difluorophenyl)sulfonyl]-1H-pyrazole
CID 6467817
4-chloro-1-[(2,5-difluorophenyl)sulfonyl]-1H-pyrazole
CID 6470354
1-[(4-fluorophenyl)sulfonyl]-1H-pyrazole
CID 4657111
1-(benzylsulfonyl)-4-chloro-1H-pyrazole
CID 6466723
1h-Pyrazol-1-yl benzenesulfonamide
CID 22315462
1-(4-Fluorophenyl)sulfonyl-3-methylpyrazole
CID 976427
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-chloro-1-(4-fluorophenyl)sulfonylpyrazole?
The IUPAC name of 4-chloro-1-(4-fluorophenyl)sulfonylpyrazole (CID 1225527) is 4-chloro-1-(4-fluorophenyl)sulfonylpyrazole.
What is the SMILES notation for 4-chloro-1-(4-fluorophenyl)sulfonylpyrazole?
The canonical SMILES for 4-chloro-1-(4-fluorophenyl)sulfonylpyrazole is O=S(=O)(c1ccc(F)cc1)n1cc(Cl)cn1.
What is the InChIKey of 4-chloro-1-(4-fluorophenyl)sulfonylpyrazole?
The InChIKey is KRJAAMMIHPKKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O2S/c10-7-5-12-13(6-7)16(14,15)9-3-1-8(11)2-4-9/h1-6H.
What are the key properties of 4-chloro-1-(4-fluorophenyl)sulfonylpyrazole?
4-chloro-1-(4-fluorophenyl)sulfonylpyrazole has a molecular weight of 260.68 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-fluorophenyl)sulfonylpyrazole is sourced from PubChem (CID 1225527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).