3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide

C12H15N3O2S — CID 5047363

IUPAC3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H15N3O2S/c1-8-6-4-5-7-11(8)15-18(16,17)12-9(2)13-14-10(12)3/h4-7,15H,1-3H3,(H,13,14)
InChIKeyLTGUIFHDHNOKIU-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.14
Rot. Bonds3

About 3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 5047363) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID5047363
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H15N3O2S/c1-8-6-4-5-7-11(8)15-18(16,17)12-9(2)13-14-10(12)3/h4-7,15H,1-3H3,(H,13,14)
InChIKeyLTGUIFHDHNOKIU-UHFFFAOYSA-N
XLogP2.14
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 6602881
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydro-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide (CID 5047363) is 3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide is Cc1ccccc1NS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is LTGUIFHDHNOKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-6-4-5-7-11(8)15-18(16,17)12-9(2)13-14-10(12)3/h4-7,15H,1-3H3,(H,13,14).
What are the key properties of 3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 5047363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).