3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide

C12H16N4O2S — CID 54922418

IUPAC3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H16N4O2S/c1-3-16(10-7-5-4-6-8-10)19(17,18)11-9-15(2)14-12(11)13/h4-9H,3H2,1-2H3,(H2,13,14)
InChIKeyZHWBSJIWKJKENQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.22
Rot. Bonds4

About 3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide

3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide (PubChem CID 54922418) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide
PubChem CID54922418
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H16N4O2S/c1-3-16(10-7-5-4-6-8-10)19(17,18)11-9-15(2)14-12(11)13/h4-9H,3H2,1-2H3,(H2,13,14)
InChIKeyZHWBSJIWKJKENQ-UHFFFAOYSA-N
XLogP1.22
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide
CID 60815014
3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 60807969
3-amino-N-benzyl-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 61110904
3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide
CID 62002029
2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide
CID 28514650
3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 42283584
2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557
3-amino-N-[(2-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 61110803
3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 61139761
3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79850425
N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide
CID 20914041
2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 61116268

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide (CID 54922418) is 3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide?
The InChIKey is ZHWBSJIWKJKENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-16(10-7-5-4-6-8-10)19(17,18)11-9-15(2)14-12(11)13/h4-9H,3H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide?
3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 54922418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).