2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide

C10H10BrFN4O2S — CID 106491675

IUPAC2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C10H10BrFN4O2S/c1-16-10(2-3-14-16)15-19(17,18)9-4-6(11)7(12)5-8(9)13/h2-5,15H,13H2,1H3
InChIKeyGUSQOOWPXUNXGK-UHFFFAOYSA-N
MW349.19 g/mol
LogP1.70
Rot. Bonds3

About 2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide

2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 106491675) has the molecular formula C10H10BrFN4O2S and a molecular weight of 349.19 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID106491675
Molecular FormulaC10H10BrFN4O2S
Molecular Weight349.19 g/mol
Exact Mass347.97
IUPAC Name2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C10H10BrFN4O2S/c1-16-10(2-3-14-16)15-19(17,18)9-4-6(11)7(12)5-8(9)13/h2-5,15H,13H2,1H3
InChIKeyGUSQOOWPXUNXGK-UHFFFAOYSA-N
XLogP1.70
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 51.70
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

2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106491327
3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 79889831
3-amino-4-[(2-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 81470825
3,4-difluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25046115
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491419
2-amino-5-bromo-N-(2-bromo-4-fluorophenyl)-4-fluorobenzenesulfonamide
CID 106491351
2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 106491773
2-amino-5-bromo-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106491258
2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491423
2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 106491308
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106491352

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide (CID 106491675) is 2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide is Cn1nccc1NS(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is GUSQOOWPXUNXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4O2S/c1-16-10(2-3-14-16)15-19(17,18)9-4-6(11)7(12)5-8(9)13/h2-5,15H,13H2,1H3.
What are the key properties of 2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 349.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 106491675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).