3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide

C12H16N4O2S — CID 80681451

IUPAC3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCn1cc(CCNS(=O)(=O)c2cccc(N)c2)cn1
InChIInChI=1S/C12H16N4O2S/c1-16-9-10(8-14-16)5-6-15-19(17,18)12-4-2-3-11(13)7-12/h2-4,7-9,15H,5-6,13H2,1H3
InChIKeyGJPLMCILBHYVNL-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.52
Rot. Bonds5

About 3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide

3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 80681451) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID80681451
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCn1cc(CCNS(=O)(=O)c2cccc(N)c2)cn1
InChIInChI=1S/C12H16N4O2S/c1-16-9-10(8-14-16)5-6-15-19(17,18)12-4-2-3-11(13)7-12/h2-4,7-9,15H,5-6,13H2,1H3
InChIKeyGJPLMCILBHYVNL-UHFFFAOYSA-N
XLogP0.52
TPSA90.01 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 ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
4-bromo-3-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 103697397
4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80689629
3-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 80681228
4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80685575
3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 81259081
4-(aminomethyl)-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 106997056
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 106594742
2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47305787
5-(methylaminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106073600
2-bromo-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235685
5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61351156

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide (CID 80681451) is 3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide is Cn1cc(CCNS(=O)(=O)c2cccc(N)c2)cn1.
What is the InChIKey of 3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is GJPLMCILBHYVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16-9-10(8-14-16)5-6-15-19(17,18)12-4-2-3-11(13)7-12/h2-4,7-9,15H,5-6,13H2,1H3.
What are the key properties of 3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 80681451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).