2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C10H9BrFN3O2S — CID 63821526

IUPAC2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)cc2Br)n[nH]1
InChIInChI=1S/C10H9BrFN3O2S/c1-6-4-10(14-13-6)15-18(16,17)9-3-2-7(12)5-8(9)11/h2-5H,1H3,(H2,13,14,15)
InChIKeyLUGLTNUKNYIQFZ-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.42
Rot. Bonds3

About 2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 63821526) has the molecular formula C10H9BrFN3O2S and a molecular weight of 334.17 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID63821526
Molecular FormulaC10H9BrFN3O2S
Molecular Weight334.17 g/mol
Exact Mass332.96
IUPAC Name2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)cc2Br)n[nH]1
InChIInChI=1S/C10H9BrFN3O2S/c1-6-4-10(14-13-6)15-18(16,17)9-3-2-7(12)5-8(9)11/h2-5H,1H3,(H2,13,14,15)
InChIKeyLUGLTNUKNYIQFZ-UHFFFAOYSA-N
XLogP2.42
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 63821526) is 2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(F)cc2Br)n[nH]1.
What is the InChIKey of 2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is LUGLTNUKNYIQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O2S/c1-6-4-10(14-13-6)15-18(16,17)9-3-2-7(12)5-8(9)11/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 334.17 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 63821526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).