2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide

C9H9FN4O2S — CID 54888807

IUPAC2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H9FN4O2S/c10-6-1-2-8(11)9(3-6)17(15,16)14-7-4-12-13-5-7/h1-5,14H,11H2,(H,12,13)
InChIKeyWUJXYYGFWLSOIO-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.93
Rot. Bonds3

About 2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide

2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 54888807) has the molecular formula C9H9FN4O2S and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID54888807
Molecular FormulaC9H9FN4O2S
Molecular Weight256.26 g/mol
Exact Mass256.04
IUPAC Name2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H9FN4O2S/c10-6-1-2-8(11)9(3-6)17(15,16)14-7-4-12-13-5-7/h1-5,14H,11H2,(H,12,13)
InChIKeyWUJXYYGFWLSOIO-UHFFFAOYSA-N
XLogP0.93
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 54888807) is 2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide is Nc1ccc(F)cc1S(=O)(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is WUJXYYGFWLSOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2S/c10-6-1-2-8(11)9(3-6)17(15,16)14-7-4-12-13-5-7/h1-5,14H,11H2,(H,12,13).
What are the key properties of 2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 256.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 54888807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).