4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide

C13H17N3O3S — CID 54374088

IUPAC4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide
SMILESCCC1=CNN(C(=O)NS(=O)(=O)c2ccccc2C)C1
InChIInChI=1S/C13H17N3O3S/c1-3-11-8-14-16(9-11)13(17)15-20(18,19)12-7-5-4-6-10(12)2/h4-8,14H,3,9H2,1-2H3,(H,15,17)
InChIKeyUVGDYGAOSIIPGE-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.51
Rot. Bonds3

About 4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide

4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide (PubChem CID 54374088) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide
PubChem CID54374088
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide
SMILESCCC1=CNN(C(=O)NS(=O)(=O)c2ccccc2C)C1
InChIInChI=1S/C13H17N3O3S/c1-3-11-8-14-16(9-11)13(17)15-20(18,19)12-7-5-4-6-10(12)2/h4-8,14H,3,9H2,1-2H3,(H,15,17)
InChIKeyUVGDYGAOSIIPGE-UHFFFAOYSA-N
XLogP1.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)sulfonylurea
CID 20975378
cyclobutane;(2-methylphenyl)sulfonylurea
CID 20975377
4-ethyl-N-(2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050887
(2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide
CID 763152
5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide
CID 23050778
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997077
3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide
CID 47108856
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(2-methylphenyl)sulfonylacetamide
CID 94186594
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide
CID 54107332

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide?
The IUPAC name of 4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide (CID 54374088) is 4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide is CCC1=CNN(C(=O)NS(=O)(=O)c2ccccc2C)C1.
What is the InChIKey of 4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide?
The InChIKey is UVGDYGAOSIIPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-11-8-14-16(9-11)13(17)15-20(18,19)12-7-5-4-6-10(12)2/h4-8,14H,3,9H2,1-2H3,(H,15,17).
What are the key properties of 4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide?
4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 54374088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).