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

C10H8Cl2N2O2S — CID 79016469

IUPAC5-chloro-3-methyl-1-phenylpyrazole-4-sulfonyl chloride
SMILESCc1nn(-c2ccccc2)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C10H8Cl2N2O2S/c1-7-9(17(12,15)16)10(11)14(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyJAVJBJSQMVDNGD-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.76
Rot. Bonds2

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

5-chloro-3-methyl-1-phenylpyrazole-4-sulfonyl chloride (PubChem CID 79016469) has the molecular formula C10H8Cl2N2O2S and a molecular weight of 291.16 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-phenylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-3-methyl-1-phenylpyrazole-4-sulfonyl chloride
PubChem CID79016469
Molecular FormulaC10H8Cl2N2O2S
Molecular Weight291.16 g/mol
Exact Mass289.97
IUPAC Name5-chloro-3-methyl-1-phenylpyrazole-4-sulfonyl chloride
SMILESCc1nn(-c2ccccc2)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C10H8Cl2N2O2S/c1-7-9(17(12,15)16)10(11)14(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyJAVJBJSQMVDNGD-UHFFFAOYSA-N
XLogP2.76
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-phenylpyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-3-methyl-1-phenylpyrazole-4-sulfonyl chloride (CID 79016469) is 5-chloro-3-methyl-1-phenylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-3-methyl-1-phenylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-3-methyl-1-phenylpyrazole-4-sulfonyl chloride is Cc1nn(-c2ccccc2)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-3-methyl-1-phenylpyrazole-4-sulfonyl chloride?
The InChIKey is JAVJBJSQMVDNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2S/c1-7-9(17(12,15)16)10(11)14(13-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 5-chloro-3-methyl-1-phenylpyrazole-4-sulfonyl chloride?
5-chloro-3-methyl-1-phenylpyrazole-4-sulfonyl chloride has a molecular weight of 291.16 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-phenylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 79016469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).