N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide

C16H16N4O2S — CID 71688083

IUPACN-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)c(C)c1
InChIInChI=1S/C16H16N4O2S/c1-12-6-7-15(13(2)9-12)19-23(21,22)14-10-18-20(11-14)16-5-3-4-8-17-16/h3-11,19H,1-2H3
InChIKeyZCGKXXMBJQEZHI-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.68
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide

N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide (PubChem CID 71688083) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
PubChem CID71688083
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)c(C)c1
InChIInChI=1S/C16H16N4O2S/c1-12-6-7-15(13(2)9-12)19-23(21,22)14-10-18-20(11-14)16-5-3-4-8-17-16/h3-11,19H,1-2H3
InChIKeyZCGKXXMBJQEZHI-UHFFFAOYSA-N
XLogP2.68
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688116
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-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688053
N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 95738742
N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 54857001
N-[(5-methylfuran-2-yl)methyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688165
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
N-(2,4-dimethylphenyl)-4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]benzenesulfonamide
CID 20914286
N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 166234786

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide (CID 71688083) is N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The InChIKey is ZCGKXXMBJQEZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-12-6-7-15(13(2)9-12)19-23(21,22)14-10-18-20(11-14)16-5-3-4-8-17-16/h3-11,19H,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).