2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide

C9H8FN3O2S — CID 43532703

IUPAC2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cn[nH]c1)c1ccccc1F
InChIInChI=1S/C9H8FN3O2S/c10-8-3-1-2-4-9(8)16(14,15)13-7-5-11-12-6-7/h1-6,13H,(H,11,12)
InChIKeyKMIBJPIYOXRHFL-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.35
Rot. Bonds3

About 2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide

2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 43532703) has the molecular formula C9H8FN3O2S and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID43532703
Molecular FormulaC9H8FN3O2S
Molecular Weight241.25 g/mol
Exact Mass241.03
IUPAC Name2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cn[nH]c1)c1ccccc1F
InChIInChI=1S/C9H8FN3O2S/c10-8-3-1-2-4-9(8)16(14,15)13-7-5-11-12-6-7/h1-6,13H,(H,11,12)
InChIKeyKMIBJPIYOXRHFL-UHFFFAOYSA-N
XLogP1.35
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 43532703) is 2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide is O=S(=O)(Nc1cn[nH]c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is KMIBJPIYOXRHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2S/c10-8-3-1-2-4-9(8)16(14,15)13-7-5-11-12-6-7/h1-6,13H,(H,11,12).
What are the key properties of 2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 241.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43532703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).