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

C12H13BrFN3O2S — CID 103768138

IUPAC4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2ccc(Br)c(F)c2)n[nH]1
InChIInChI=1S/C12H13BrFN3O2S/c1-2-3-8-6-12(16-15-8)17-20(18,19)9-4-5-10(13)11(14)7-9/h4-7H,2-3H2,1H3,(H2,15,16,17)
InChIKeyWZMDLMNMPFKHHY-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.06
Rot. Bonds5

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

4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 103768138) has the molecular formula C12H13BrFN3O2S and a molecular weight of 362.22 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID103768138
Molecular FormulaC12H13BrFN3O2S
Molecular Weight362.22 g/mol
Exact Mass360.99
IUPAC Name4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2ccc(Br)c(F)c2)n[nH]1
InChIInChI=1S/C12H13BrFN3O2S/c1-2-3-8-6-12(16-15-8)17-20(18,19)9-4-5-10(13)11(14)7-9/h4-7H,2-3H2,1H3,(H2,15,16,17)
InChIKeyWZMDLMNMPFKHHY-UHFFFAOYSA-N
XLogP3.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 103768138) is 4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide is CCCc1cc(NS(=O)(=O)c2ccc(Br)c(F)c2)n[nH]1.
What is the InChIKey of 4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is WZMDLMNMPFKHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3O2S/c1-2-3-8-6-12(16-15-8)17-20(18,19)9-4-5-10(13)11(14)7-9/h4-7H,2-3H2,1H3,(H2,15,16,17).
What are the key properties of 4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 362.22 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 103768138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).