3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide

C11H12Br2N4O2S — CID 107596320

IUPAC3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(Br)cccc2Br)c(N)n1
InChIInChI=1S/C11H12Br2N4O2S/c1-2-17-6-9(11(14)15-17)20(18,19)16-10-7(12)4-3-5-8(10)13/h3-6,16H,2H2,1H3,(H2,14,15)
InChIKeyIVJLBQCADPHHHJ-UHFFFAOYSA-N
MW424.12 g/mol
LogP2.81
Rot. Bonds4

About 3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide

3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 107596320) has the molecular formula C11H12Br2N4O2S and a molecular weight of 424.12 g/mol. Its IUPAC name is 3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide
PubChem CID107596320
Molecular FormulaC11H12Br2N4O2S
Molecular Weight424.12 g/mol
Exact Mass421.90
IUPAC Name3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(Br)cccc2Br)c(N)n1
InChIInChI=1S/C11H12Br2N4O2S/c1-2-17-6-9(11(14)15-17)20(18,19)16-10-7(12)4-3-5-8(10)13/h3-6,16H,2H2,1H3,(H2,14,15)
InChIKeyIVJLBQCADPHHHJ-UHFFFAOYSA-N
XLogP2.81
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.12
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-ethyl-N-(3-hydroxyphenyl)pyrazole-4-sulfonamide
CID 61167291
3-amino-N-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide
CID 54922471
3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 60808760
3-amino-1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide
CID 60815181
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 60815193
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide
CID 114386852
3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide
CID 61112113
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
CID 60808956
3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60808427
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide
CID 107843719

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide (CID 107596320) is 3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2c(Br)cccc2Br)c(N)n1.
What is the InChIKey of 3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is IVJLBQCADPHHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N4O2S/c1-2-17-6-9(11(14)15-17)20(18,19)16-10-7(12)4-3-5-8(10)13/h3-6,16H,2H2,1H3,(H2,14,15).
What are the key properties of 3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide?
3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 424.12 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 107596320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).