4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole

C9H5ClF2N2O2S — CID 142633209

IUPAC4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole
SMILESO=S(=O)(c1ccc(F)cc1F)c1[nH]ncc1Cl
InChIInChI=1S/C9H5ClF2N2O2S/c10-6-4-13-14-9(6)17(15,16)8-2-1-5(11)3-7(8)12/h1-4H,(H,13,14)
InChIKeyJONMHMDFOHBPRD-UHFFFAOYSA-N
MW278.67 g/mol
LogP2.17
Rot. Bonds2

About 4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole

4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole (PubChem CID 142633209) has the molecular formula C9H5ClF2N2O2S and a molecular weight of 278.67 g/mol. Its IUPAC name is 4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole
PubChem CID142633209
Molecular FormulaC9H5ClF2N2O2S
Molecular Weight278.67 g/mol
Exact Mass277.97
IUPAC Name4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole
SMILESO=S(=O)(c1ccc(F)cc1F)c1[nH]ncc1Cl
InChIInChI=1S/C9H5ClF2N2O2S/c10-6-4-13-14-9(6)17(15,16)8-2-1-5(11)3-7(8)12/h1-4H,(H,13,14)
InChIKeyJONMHMDFOHBPRD-UHFFFAOYSA-N
XLogP2.17
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole?
The IUPAC name of 4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole (CID 142633209) is 4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole?
The canonical SMILES for 4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole is O=S(=O)(c1ccc(F)cc1F)c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole?
The InChIKey is JONMHMDFOHBPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2S/c10-6-4-13-14-9(6)17(15,16)8-2-1-5(11)3-7(8)12/h1-4H,(H,13,14).
What are the key properties of 4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole?
4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole has a molecular weight of 278.67 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole is sourced from PubChem (CID 142633209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).