5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride

C11H10Cl2N2O2S — CID 82918785

IUPAC5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride
SMILESCCc1nn(-c2ccccc2)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C11H10Cl2N2O2S/c1-2-9-10(18(13,16)17)11(12)15(14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyZXTFVHDLWXDQMH-UHFFFAOYSA-N
MW305.19 g/mol
LogP3.02
Rot. Bonds3

About 5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride

5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride (PubChem CID 82918785) has the molecular formula C11H10Cl2N2O2S and a molecular weight of 305.19 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride
PubChem CID82918785
Molecular FormulaC11H10Cl2N2O2S
Molecular Weight305.19 g/mol
Exact Mass303.98
IUPAC Name5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride
SMILESCCc1nn(-c2ccccc2)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C11H10Cl2N2O2S/c1-2-9-10(18(13,16)17)11(12)15(14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyZXTFVHDLWXDQMH-UHFFFAOYSA-N
XLogP3.02
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride (CID 82918785) is 5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride is CCc1nn(-c2ccccc2)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride?
The InChIKey is ZXTFVHDLWXDQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S/c1-2-9-10(18(13,16)17)11(12)15(14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride?
5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride has a molecular weight of 305.19 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-phenylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82918785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).