2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

C12H15FN4O2S — CID 82881762

IUPAC2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2cccc(F)c2CN)n1
InChIInChI=1S/C12H15FN4O2S/c1-17-6-5-9(16-17)8-15-20(18,19)12-4-2-3-11(13)10(12)7-14/h2-6,15H,7-8,14H2,1H3
InChIKeyXYLLPDSKUHUVCN-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.50
Rot. Bonds5

About 2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 82881762) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID82881762
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC Name2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2cccc(F)c2CN)n1
InChIInChI=1S/C12H15FN4O2S/c1-17-6-5-9(16-17)8-15-20(18,19)12-4-2-3-11(13)10(12)7-14/h2-6,15H,7-8,14H2,1H3
InChIKeyXYLLPDSKUHUVCN-UHFFFAOYSA-N
XLogP0.50
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]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-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 82881762) is 2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is Cn1ccc(CNS(=O)(=O)c2cccc(F)c2CN)n1.
What is the InChIKey of 2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is XYLLPDSKUHUVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c1-17-6-5-9(16-17)8-15-20(18,19)12-4-2-3-11(13)10(12)7-14/h2-6,15H,7-8,14H2,1H3.
What are the key properties of 2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 82881762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).