5-chloro-3-methyl-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride

C11H10Cl2N2O2S — CID 82918290

IUPAC5-chloro-3-methyl-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride
SMILESCc1ccccc1-n1nc(C)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C11H10Cl2N2O2S/c1-7-5-3-4-6-9(7)15-11(12)10(8(2)14-15)18(13,16)17/h3-6H,1-2H3
InChIKeyZQDNNTAZPJVVHQ-UHFFFAOYSA-N
MW305.19 g/mol
LogP3.07
Rot. Bonds2

About 5-chloro-3-methyl-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride

5-chloro-3-methyl-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride (PubChem CID 82918290) has the molecular formula C11H10Cl2N2O2S and a molecular weight of 305.19 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-3-methyl-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride
PubChem CID82918290
Molecular FormulaC11H10Cl2N2O2S
Molecular Weight305.19 g/mol
Exact Mass303.98
IUPAC Name5-chloro-3-methyl-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride
SMILESCc1ccccc1-n1nc(C)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C11H10Cl2N2O2S/c1-7-5-3-4-6-9(7)15-11(12)10(8(2)14-15)18(13,16)17/h3-6H,1-2H3
InChIKeyZQDNNTAZPJVVHQ-UHFFFAOYSA-N
XLogP3.07
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 53.07
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-(2-methylphenyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-3-methyl-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride (CID 82918290) is 5-chloro-3-methyl-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-3-methyl-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-3-methyl-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride is Cc1ccccc1-n1nc(C)c(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 5-chloro-3-methyl-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride?
The InChIKey is ZQDNNTAZPJVVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S/c1-7-5-3-4-6-9(7)15-11(12)10(8(2)14-15)18(13,16)17/h3-6H,1-2H3.
What are the key properties of 5-chloro-3-methyl-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride?
5-chloro-3-methyl-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride has a molecular weight of 305.19 g/mol, XLogP of 3.07, 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-(2-methylphenyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82918290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).