1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole

C11H10Cl2N2O2S — CID 2987009

IUPAC1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole
SMILESCc1ccn(S(=O)(=O)c2ccc(Cl)c(C)c2Cl)n1
InChIInChI=1S/C11H10Cl2N2O2S/c1-7-5-6-15(14-7)18(16,17)10-4-3-9(12)8(2)11(10)13/h3-6H,1-2H3
InChIKeyFMTONJHEERLZQC-UHFFFAOYSA-N
MW305.19 g/mol
LogP3.04
Rot. Bonds2

About 1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole

1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole (PubChem CID 2987009) has the molecular formula C11H10Cl2N2O2S and a molecular weight of 305.19 g/mol. Its IUPAC name is 1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole
PubChem CID2987009
Molecular FormulaC11H10Cl2N2O2S
Molecular Weight305.19 g/mol
Exact Mass303.98
IUPAC Name1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole
SMILESCc1ccn(S(=O)(=O)c2ccc(Cl)c(C)c2Cl)n1
InChIInChI=1S/C11H10Cl2N2O2S/c1-7-5-6-15(14-7)18(16,17)10-4-3-9(12)8(2)11(10)13/h3-6H,1-2H3
InChIKeyFMTONJHEERLZQC-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 738644
1-(4-Chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole
CID 2805335
1-(2,4-Dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 3647844
1-(4-Fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole
CID 1094931
1-[(4-chlorophenyl)sulfonyl]-3-cyclopropyl-1H-pyrazole
CID 4325616
1-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-methylpyrazole
CID 2990326
2,4-dichloro-5-methyl-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)benzenesulfonamide
CID 90588760
2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 103088740
1-(2,4-Dichloro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 881256
1-(2,4-Dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole
CID 2805302
1-[(3,5-Dimethylpyrazolyl)sulfonyl]-2,4-dichlorobenzene
CID 4611532

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole (CID 2987009) is 1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole is Cc1ccn(S(=O)(=O)c2ccc(Cl)c(C)c2Cl)n1.
What is the InChIKey of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is FMTONJHEERLZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S/c1-7-5-6-15(14-7)18(16,17)10-4-3-9(12)8(2)11(10)13/h3-6H,1-2H3.
What are the key properties of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole?
1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole has a molecular weight of 305.19 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-3-methylphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 2987009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).