2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide

C13H18N4O2S2 — CID 106208337

IUPAC2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
SMILESCC(NS(=O)(=O)CCSc1ccccc1N)c1cn[nH]c1
InChIInChI=1S/C13H18N4O2S2/c1-10(11-8-15-16-9-11)17-21(18,19)7-6-20-13-5-3-2-4-12(13)14/h2-5,8-10,17H,6-7,14H2,1H3,(H,15,16)
InChIKeyLCYYFLJMYYHJTC-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.76
Rot. Bonds7

About 2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide

2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide (PubChem CID 106208337) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
PubChem CID106208337
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
SMILESCC(NS(=O)(=O)CCSc1ccccc1N)c1cn[nH]c1
InChIInChI=1S/C13H18N4O2S2/c1-10(11-8-15-16-9-11)17-21(18,19)7-6-20-13-5-3-2-4-12(13)14/h2-5,8-10,17H,6-7,14H2,1H3,(H,15,16)
InChIKeyLCYYFLJMYYHJTC-UHFFFAOYSA-N
XLogP1.76
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide 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

2-(2-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106208370
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 103854160
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106215347
2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide
CID 104827317
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
1-(2-nitrophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 104624356
2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide
CID 64927625
3-amino-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208367
2-(2-aminophenyl)sulfanyl-N-(2-methylprop-2-enyl)ethanesulfonamide
CID 114615068
3-amino-4-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208303
1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
CID 106218352
4-amino-2-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208333

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide (CID 106208337) is 2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide is CC(NS(=O)(=O)CCSc1ccccc1N)c1cn[nH]c1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide?
The InChIKey is LCYYFLJMYYHJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-10(11-8-15-16-9-11)17-21(18,19)7-6-20-13-5-3-2-4-12(13)14/h2-5,8-10,17H,6-7,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide?
2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 106208337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).