1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole

C10H6ClF3N2O2S — CID 2809208

IUPAC1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H6ClF3N2O2S/c11-7-1-3-8(4-2-7)19(17,18)16-6-5-9(15-16)10(12,13)14/h1-6H
InChIKeySTQVPTXELLBYKO-UHFFFAOYSA-N
MW310.68 g/mol
LogP2.79
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole

1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole (PubChem CID 2809208) has the molecular formula C10H6ClF3N2O2S and a molecular weight of 310.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole
PubChem CID2809208
Molecular FormulaC10H6ClF3N2O2S
Molecular Weight310.68 g/mol
Exact Mass309.98
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H6ClF3N2O2S/c11-7-1-3-8(4-2-7)19(17,18)16-6-5-9(15-16)10(12,13)14/h1-6H
InChIKeySTQVPTXELLBYKO-UHFFFAOYSA-N
XLogP2.79
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.68
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)sulfonyl]-1H-pyrazole
CID 896241
1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 791827
1-(4-chlorophenyl)sulfonyl-5-[(E)-2-thiophen-2-ylethenyl]pyrazole
CID 5714045
4-chloro-1-[(3,4-difluorophenyl)sulfonyl]-1H-pyrazole
CID 6467817
4-chloro-1-[(2,5-difluorophenyl)sulfonyl]-1H-pyrazole
CID 6470354
1-(4-Chlorophenyl)sulfonyl-5-(2-thiophen-2-ylethenyl)pyrazole
CID 2805987
3-methyl-1-(phenylsulfonyl)-1H-pyrazole
CID 2992104
1-(4-Chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile
CID 2822895
1-(4-Fluorophenyl)sulfonyl-3-methylpyrazole
CID 976427
1-[(4-chlorophenyl)sulfonyl]-3-cyclopropyl-1H-pyrazole
CID 4325616
N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide
CID 169101240
4-Chloro-1-(2,4-difluorophenyl)sulfonylpyrazole
CID 22200772

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole (CID 2809208) is 1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole is O=S(=O)(c1ccc(Cl)cc1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole?
The InChIKey is STQVPTXELLBYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O2S/c11-7-1-3-8(4-2-7)19(17,18)16-6-5-9(15-16)10(12,13)14/h1-6H.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole?
1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole has a molecular weight of 310.68 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 2809208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).