2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

C12H15BrN4O2S — CID 43258241

IUPAC2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H15BrN4O2S/c1-8(2)17-12(5-6-15-17)16-20(18,19)11-4-3-9(13)7-10(11)14/h3-8,16H,14H2,1-2H3
InChIKeyBOPKXEQVMJLRAW-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.61
Rot. Bonds4

About 2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 43258241) has the molecular formula C12H15BrN4O2S and a molecular weight of 359.25 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID43258241
Molecular FormulaC12H15BrN4O2S
Molecular Weight359.25 g/mol
Exact Mass358.01
IUPAC Name2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H15BrN4O2S/c1-8(2)17-12(5-6-15-17)16-20(18,19)11-4-3-9(13)7-10(11)14/h3-8,16H,14H2,1-2H3
InChIKeyBOPKXEQVMJLRAW-UHFFFAOYSA-N
XLogP2.61
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(1-phenyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 1369549
4-amino-N-(2-cyclohexylpyrazol-3-yl)benzenesulfonamide
CID 85806596
4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide
CID 162674932
4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide
CID 162677168
2-bromo-N-[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]-5-(dimethylamino)benzenesulfonamide
CID 86807343
3-amino-4-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 28517143
5-amino-2,4-difluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 29278982
2-amino-4-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 29302195
5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 43255492
2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 54889002
3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 54922662
3-amino-N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 60807949

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (CID 43258241) is 2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is CC(C)n1nccc1NS(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is BOPKXEQVMJLRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S/c1-8(2)17-12(5-6-15-17)16-20(18,19)11-4-3-9(13)7-10(11)14/h3-8,16H,14H2,1-2H3.
What are the key properties of 2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 359.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 43258241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).