5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride

C12H10Cl4N2O2S — CID 82916014

IUPAC5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride
SMILESCCCc1nn(-c2ccc(Cl)cc2Cl)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C12H10Cl4N2O2S/c1-2-3-9-11(21(16,19)20)12(15)18(17-9)10-5-4-7(13)6-8(10)14/h4-6H,2-3H2,1H3
InChIKeySYOXBONKXBYKLR-UHFFFAOYSA-N
MW388.10 g/mol
LogP4.71
Rot. Bonds4

About 5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride

5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride (PubChem CID 82916014) has the molecular formula C12H10Cl4N2O2S and a molecular weight of 388.10 g/mol. Its IUPAC name is 5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride
PubChem CID82916014
Molecular FormulaC12H10Cl4N2O2S
Molecular Weight388.10 g/mol
Exact Mass385.92
IUPAC Name5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride
SMILESCCCc1nn(-c2ccc(Cl)cc2Cl)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C12H10Cl4N2O2S/c1-2-3-9-11(21(16,19)20)12(15)18(17-9)10-5-4-7(13)6-8(10)14/h4-6H,2-3H2,1H3
InChIKeySYOXBONKXBYKLR-UHFFFAOYSA-N
XLogP4.71
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride (CID 82916014) is 5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride is CCCc1nn(-c2ccc(Cl)cc2Cl)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride?
The InChIKey is SYOXBONKXBYKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl4N2O2S/c1-2-3-9-11(21(16,19)20)12(15)18(17-9)10-5-4-7(13)6-8(10)14/h4-6H,2-3H2,1H3.
What are the key properties of 5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride?
5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride has a molecular weight of 388.10 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82916014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).