2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C10H11FN4O2S — CID 54889002

IUPAC2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cc(F)ccc2N)n1
InChIInChI=1S/C10H11FN4O2S/c1-15-5-4-10(13-15)14-18(16,17)9-6-7(11)2-3-8(9)12/h2-6H,12H2,1H3,(H,13,14)
InChIKeyKLSJHOCCMDJPCV-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.94
Rot. Bonds3

About 2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide

2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 54889002) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID54889002
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cc(F)ccc2N)n1
InChIInChI=1S/C10H11FN4O2S/c1-15-5-4-10(13-15)14-18(16,17)9-6-7(11)2-3-8(9)12/h2-6H,12H2,1H3,(H,13,14)
InChIKeyKLSJHOCCMDJPCV-UHFFFAOYSA-N
XLogP0.94
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 54889002) is 2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide is Cn1ccc(NS(=O)(=O)c2cc(F)ccc2N)n1.
What is the InChIKey of 2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is KLSJHOCCMDJPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-15-5-4-10(13-15)14-18(16,17)9-6-7(11)2-3-8(9)12/h2-6H,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 270.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 54889002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).