1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride

C10H7Cl2FN2O2S — CID 102619521

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(Cc2cc(F)ccc2Cl)c1
InChIInChI=1S/C10H7Cl2FN2O2S/c11-10-2-1-8(13)3-7(10)5-15-6-9(4-14-15)18(12,16)17/h1-4,6H,5H2
InChIKeySHHZKQWGYNXILV-UHFFFAOYSA-N
MW309.15 g/mol
LogP2.65
Rot. Bonds3

About 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride

1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride (PubChem CID 102619521) has the molecular formula C10H7Cl2FN2O2S and a molecular weight of 309.15 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride
PubChem CID102619521
Molecular FormulaC10H7Cl2FN2O2S
Molecular Weight309.15 g/mol
Exact Mass307.96
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(Cc2cc(F)ccc2Cl)c1
InChIInChI=1S/C10H7Cl2FN2O2S/c11-10-2-1-8(13)3-7(10)5-15-6-9(4-14-15)18(12,16)17/h1-4,6H,5H2
InChIKeySHHZKQWGYNXILV-UHFFFAOYSA-N
XLogP2.65
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol
CID 102622243
1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide
CID 81340006
4-fluoro-2-[(4-methylsulfonylpyrazol-1-yl)methyl]aniline
CID 165472918
1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine
CID 102620096
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole
CID 102620264
1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 107889713
2-[(4-chloropyrazol-1-yl)methyl]-4-fluoroaniline
CID 61036280
1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride
CID 43531743
1-(3-fluoropropyl)pyrazole-4-sulfonyl chloride
CID 81113658
1-[(2-chloro-6-nitrophenyl)methyl]pyrazole-4-sulfonyl chloride
CID 63746853
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
CID 102616038
1-[(2-chloro-5-nitrophenyl)methyl]-4-nitropyrazole
CID 43169178

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride (CID 102619521) is 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(Cc2cc(F)ccc2Cl)c1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride?
The InChIKey is SHHZKQWGYNXILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN2O2S/c11-10-2-1-8(13)3-7(10)5-15-6-9(4-14-15)18(12,16)17/h1-4,6H,5H2.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride?
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride has a molecular weight of 309.15 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 102619521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).