4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole

C13H15ClN2O2S — CID 6464020

IUPAC4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1ccc(S(=O)(=O)n2nc(C)c(Cl)c2C)c(C)c1
InChIInChI=1S/C13H15ClN2O2S/c1-8-5-6-12(9(2)7-8)19(17,18)16-11(4)13(14)10(3)15-16/h5-7H,1-4H3
InChIKeyBCPXNMCNWXJMEE-UHFFFAOYSA-N
MW298.80 g/mol
LogP3.01
Rot. Bonds2

About 4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole

4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 6464020) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID6464020
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1ccc(S(=O)(=O)n2nc(C)c(Cl)c2C)c(C)c1
InChIInChI=1S/C13H15ClN2O2S/c1-8-5-6-12(9(2)7-8)19(17,18)16-11(4)13(14)10(3)15-16/h5-7H,1-4H3
InChIKeyBCPXNMCNWXJMEE-UHFFFAOYSA-N
XLogP3.01
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 802097
3,5-dimethyl-1-[(2,3,4-trimethylphenyl)sulfonyl]-1H-pyrazole
CID 802226
4-Bromo-3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole
CID 3242673
1-(4-tert-butylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazole
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4-bromo-1-(mesitylsulfonyl)-3,5-dimethyl-1H-pyrazole
CID 1292991
1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole
CID 6463478
4-Chloro-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole
CID 6462811
3,4,5-trimethyl-1-tosyl-1H-pyrazole
CID 6464030
1-((4-chloro-3-methylphenyl)sulfonyl)-3,5-dimethyl-1H-pyrazole
CID 738644
1-(4-Iodo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 2855361
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CID 3119011

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole (CID 6464020) is 4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole is Cc1ccc(S(=O)(=O)n2nc(C)c(Cl)c2C)c(C)c1.
What is the InChIKey of 4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is BCPXNMCNWXJMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-8-5-6-12(9(2)7-8)19(17,18)16-11(4)13(14)10(3)15-16/h5-7H,1-4H3.
What are the key properties of 4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole?
4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 298.80 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 6464020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).