N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide

C13H17N3O3S — CID 102846902

IUPACN-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOCCc1ccccc1NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C13H17N3O3S/c1-10-13(9-14-15-10)20(17,18)16-12-6-4-3-5-11(12)7-8-19-2/h3-6,9,16H,7-8H2,1-2H3,(H,14,15)
InChIKeyZAFLNHLRNJCMAG-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.71
Rot. Bonds6

About N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 102846902) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID102846902
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOCCc1ccccc1NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C13H17N3O3S/c1-10-13(9-14-15-10)20(17,18)16-12-6-4-3-5-11(12)7-8-19-2/h3-6,9,16H,7-8H2,1-2H3,(H,14,15)
InChIKeyZAFLNHLRNJCMAG-UHFFFAOYSA-N
XLogP1.71
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Phenyl-1h-pyrazole-4-sulfonamide
CID 61394799
N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 45833297
N-(5-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929591
N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929681
N-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929731
N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54929740
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929826
N-[2-(aminomethyl)-3-fluorophenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929999
N-(2-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930017
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930058
N-(2-cyano-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930193
N-(2-fluoro-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930206

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 102846902) is N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide is COCCc1ccccc1NS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ZAFLNHLRNJCMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10-13(9-14-15-10)20(17,18)16-12-6-4-3-5-11(12)7-8-19-2/h3-6,9,16H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 102846902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).