N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide

C16H16N4O3S — CID 71688116

IUPACN-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cnn(-c2ccccn2)c1
InChIInChI=1S/C16H16N4O3S/c1-12-6-7-15(23-2)14(9-12)19-24(21,22)13-10-18-20(11-13)16-5-3-4-8-17-16/h3-11,19H,1-2H3
InChIKeyMXRAOAHCTJZEJS-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.39
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide

N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide (PubChem CID 71688116) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
PubChem CID71688116
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cnn(-c2ccccn2)c1
InChIInChI=1S/C16H16N4O3S/c1-12-6-7-15(23-2)14(9-12)19-24(21,22)13-10-18-20(11-13)16-5-3-4-8-17-16/h3-11,19H,1-2H3
InChIKeyMXRAOAHCTJZEJS-UHFFFAOYSA-N
XLogP2.39
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688083
N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688094
N-(2-fluorophenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688101
N-(3-fluorophenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688105
N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 166234786
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 54857001
N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688053
N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 95738742
6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 115602142
N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 47177541
N-[(5-methylfuran-2-yl)methyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688165

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide (CID 71688116) is N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1cnn(-c2ccccn2)c1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The InChIKey is MXRAOAHCTJZEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-12-6-7-15(23-2)14(9-12)19-24(21,22)13-10-18-20(11-13)16-5-3-4-8-17-16/h3-11,19H,1-2H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide has a molecular weight of 344.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).