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

C9H8FN3O2S — CID 142775074

IUPAC3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccn[nH]2)c(F)c1
InChIInChI=1S/C9H8FN3O2S/c10-8-5-6(16(11,14)15)1-2-7(8)9-3-4-12-13-9/h1-5H,(H,12,13)(H2,11,14,15)
InChIKeyZXXXOBYDHFDWSH-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.86
Rot. Bonds2

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

3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 142775074) has the molecular formula C9H8FN3O2S and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID142775074
Molecular FormulaC9H8FN3O2S
Molecular Weight241.25 g/mol
Exact Mass241.03
IUPAC Name3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccn[nH]2)c(F)c1
InChIInChI=1S/C9H8FN3O2S/c10-8-5-6(16(11,14)15)1-2-7(8)9-3-4-12-13-9/h1-5H,(H,12,13)(H2,11,14,15)
InChIKeyZXXXOBYDHFDWSH-UHFFFAOYSA-N
XLogP0.86
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide (CID 142775074) is 3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccn[nH]2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is ZXXXOBYDHFDWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2S/c10-8-5-6(16(11,14)15)1-2-7(8)9-3-4-12-13-9/h1-5H,(H,12,13)(H2,11,14,15).
What are the key properties of 3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide?
3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 241.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 142775074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).