1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole

C12H14N2O2S — CID 22771646

IUPAC1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole
SMILESCc1ccc(S(=O)(=O)n2cc(C)cn2)c(C)c1
InChIInChI=1S/C12H14N2O2S/c1-9-4-5-12(11(3)6-9)17(15,16)14-8-10(2)7-13-14/h4-8H,1-3H3
InChIKeyKZRGXFBJUBMMLM-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.05
Rot. Bonds2

About 1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole

1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole (PubChem CID 22771646) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole
PubChem CID22771646
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole
SMILESCc1ccc(S(=O)(=O)n2cc(C)cn2)c(C)c1
InChIInChI=1S/C12H14N2O2S/c1-9-4-5-12(11(3)6-9)17(15,16)14-8-10(2)7-13-14/h4-8H,1-3H3
InChIKeyKZRGXFBJUBMMLM-UHFFFAOYSA-N
XLogP2.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole
CID 22771650
1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid
CID 71564627
3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole
CID 175460039
1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone
CID 7314411
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721448
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide
CID 110721585
N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide
CID 22209133
3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine
CID 110740045
4-(2,4-dimethylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 56806267
6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 71805838
1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123877

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole (CID 22771646) is 1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole is Cc1ccc(S(=O)(=O)n2cc(C)cn2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole?
The InChIKey is KZRGXFBJUBMMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-9-4-5-12(11(3)6-9)17(15,16)14-8-10(2)7-13-14/h4-8H,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole?
1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole has a molecular weight of 250.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole is sourced from PubChem (CID 22771646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).