3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide

C11H14BrN5O2S — CID 105359094

IUPAC3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(N)nn(C)c2C)ncc1Br
InChIInChI=1S/C11H14BrN5O2S/c1-6-4-9(14-5-8(6)12)16-20(18,19)10-7(2)17(3)15-11(10)13/h4-5H,1-3H3,(H2,13,15)(H,14,16)
InChIKeyFISMXMRAHLKJNO-UHFFFAOYSA-N
MW360.24 g/mol
LogP1.58
Rot. Bonds3

About 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105359094) has the molecular formula C11H14BrN5O2S and a molecular weight of 360.24 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105359094
Molecular FormulaC11H14BrN5O2S
Molecular Weight360.24 g/mol
Exact Mass359.01
IUPAC Name3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(N)nn(C)c2C)ncc1Br
InChIInChI=1S/C11H14BrN5O2S/c1-6-4-9(14-5-8(6)12)16-20(18,19)10-7(2)17(3)15-11(10)13/h4-5H,1-3H3,(H2,13,15)(H,14,16)
InChIKeyFISMXMRAHLKJNO-UHFFFAOYSA-N
XLogP1.58
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358087
3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358264
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylbenzenesulfonamide
CID 79733417
3-amino-1,5-dimethyl-N-(3,4,5-trifluorophenyl)pyrazole-4-sulfonamide
CID 105358866
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79733311
3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358010
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106070785
6-amino-N-(5-bromo-4-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 79736649
5-bromo-N-(ethylsulfamoyl)-4-methylpyridin-2-amine
CID 114808883
N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 79729890
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359031

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105359094) is 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1cc(NS(=O)(=O)c2c(N)nn(C)c2C)ncc1Br.
What is the InChIKey of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is FISMXMRAHLKJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O2S/c1-6-4-9(14-5-8(6)12)16-20(18,19)10-7(2)17(3)15-11(10)13/h4-5H,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 360.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105359094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).