4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C12H16N4O2S — CID 54921777

IUPAC4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1
InChIInChI=1S/C12H16N4O2S/c1-13-9-10-3-5-11(6-4-10)19(17,18)15-12-7-8-16(2)14-12/h3-8,13H,9H2,1-2H3,(H,14,15)
InChIKeyTYLYKFBQCUWNIS-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.94
Rot. Bonds5

About 4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide

4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 54921777) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID54921777
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1
InChIInChI=1S/C12H16N4O2S/c1-13-9-10-3-5-11(6-4-10)19(17,18)15-12-7-8-16(2)14-12/h3-8,13H,9H2,1-2H3,(H,14,15)
InChIKeyTYLYKFBQCUWNIS-UHFFFAOYSA-N
XLogP0.94
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(methylaminomethyl)-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 4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 54921777) is 4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1.
What is the InChIKey of 4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is TYLYKFBQCUWNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-13-9-10-3-5-11(6-4-10)19(17,18)15-12-7-8-16(2)14-12/h3-8,13H,9H2,1-2H3,(H,14,15).
What are the key properties of 4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 54921777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).