4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole

C9H5ClF2N2O2S — CID 6467817

IUPAC4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(F)c(F)c1)n1cc(Cl)cn1
InChIInChI=1S/C9H5ClF2N2O2S/c10-6-4-13-14(5-6)17(15,16)7-1-2-8(11)9(12)3-7/h1-5H
InChIKeyDDIVQJLYAGAQIZ-UHFFFAOYSA-N
MW278.67 g/mol
LogP2.05
Rot. Bonds2

About 4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole

4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole (PubChem CID 6467817) has the molecular formula C9H5ClF2N2O2S and a molecular weight of 278.67 g/mol. Its IUPAC name is 4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole.

Molecular Properties

Compound Name4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole
PubChem CID6467817
Molecular FormulaC9H5ClF2N2O2S
Molecular Weight278.67 g/mol
Exact Mass277.97
IUPAC Name4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(F)c(F)c1)n1cc(Cl)cn1
InChIInChI=1S/C9H5ClF2N2O2S/c10-6-4-13-14(5-6)17(15,16)7-1-2-8(11)9(12)3-7/h1-5H
InChIKeyDDIVQJLYAGAQIZ-UHFFFAOYSA-N
XLogP2.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 52.05
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
4-chloro-1-[(4-fluorophenyl)sulfonyl]-1H-pyrazole
CID 1225527
1-Benzenesulfonylpyrazole
CID 588934
1-(4-Chlorophenyl)sulfonyl-3-(trifluoromethyl)pyrazole
CID 2809208
4-chloro-1-[(2,5-difluorophenyl)sulfonyl]-1H-pyrazole
CID 6470354
1-[(4-fluorophenyl)sulfonyl]-1H-pyrazole
CID 4657111
1h-Pyrazol-1-yl benzenesulfonamide
CID 22315462
1-(2,4,5-Trifluorophenyl)sulfonylpyrazole
CID 89544349
4-chloro-5-(2,4-difluorophenyl)sulfonyl-1H-pyrazole
CID 142633209
N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide
CID 165103279

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole?
The IUPAC name of 4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole (CID 6467817) is 4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole.
What is the SMILES notation for 4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole?
The canonical SMILES for 4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole is O=S(=O)(c1ccc(F)c(F)c1)n1cc(Cl)cn1.
What is the InChIKey of 4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole?
The InChIKey is DDIVQJLYAGAQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2S/c10-6-4-13-14(5-6)17(15,16)7-1-2-8(11)9(12)3-7/h1-5H.
What are the key properties of 4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole?
4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole has a molecular weight of 278.67 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3,4-difluorophenyl)sulfonylpyrazole is sourced from PubChem (CID 6467817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).