2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide

C11H12BrFN4O2S — CID 106491423

IUPAC2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C11H12BrFN4O2S/c1-5-11(6(2)16-15-5)17-20(18,19)10-3-7(12)8(13)4-9(10)14/h3-4,17H,14H2,1-2H3,(H,15,16)
InChIKeyFTXUAWVLSIUPFM-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.31
Rot. Bonds3

About 2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide

2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide (PubChem CID 106491423) has the molecular formula C11H12BrFN4O2S and a molecular weight of 363.21 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide
PubChem CID106491423
Molecular FormulaC11H12BrFN4O2S
Molecular Weight363.21 g/mol
Exact Mass361.98
IUPAC Name2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C11H12BrFN4O2S/c1-5-11(6(2)16-15-5)17-20(18,19)10-3-7(12)8(13)4-9(10)14/h3-4,17H,14H2,1-2H3,(H,15,16)
InChIKeyFTXUAWVLSIUPFM-UHFFFAOYSA-N
XLogP2.31
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 82844313
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106491327
4-bromo-5-fluoro-2-methylsulfonylaniline
CID 116736764
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 43547468
2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 106491773
2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 106491675
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106491352
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
CID 43547071
2-amino-5-bromo-N-(2-bromo-4-fluorophenyl)-4-fluorobenzenesulfonamide
CID 106491351
2-amino-5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 106491632
N-(2-amino-4,6-dibromophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43550690

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide (CID 106491423) is 2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide is Cc1n[nH]c(C)c1NS(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide?
The InChIKey is FTXUAWVLSIUPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN4O2S/c1-5-11(6(2)16-15-5)17-20(18,19)10-3-7(12)8(13)4-9(10)14/h3-4,17H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide?
2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide has a molecular weight of 363.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106491423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).