N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide

C12H16N4O2S — CID 104709386

IUPACN-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccnn1C)c1ccccc1N
InChIInChI=1S/C12H16N4O2S/c1-9(10-5-3-4-6-11(10)13)15-19(17,18)12-7-8-14-16(12)2/h3-9,15H,13H2,1-2H3
InChIKeyUMAIUBPUMCFRDF-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.04
Rot. Bonds4

About N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide

N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 104709386) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide
PubChem CID104709386
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccnn1C)c1ccccc1N
InChIInChI=1S/C12H16N4O2S/c1-9(10-5-3-4-6-11(10)13)15-19(17,18)12-7-8-14-16(12)2/h3-9,15H,13H2,1-2H3
InChIKeyUMAIUBPUMCFRDF-UHFFFAOYSA-N
XLogP1.04
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-aminophenyl)ethyl]-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313729
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709797
N-[1-(2-aminophenyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 55068231
N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110
N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 62920120
N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104710044
3-[(2-methylpyrazol-3-yl)sulfonylamino]-3-phenylpropanoic acid
CID 104709491
N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide
CID 43298057
3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709527
3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709498
N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773051
N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104709300

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide (CID 104709386) is N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide is CC(NS(=O)(=O)c1ccnn1C)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is UMAIUBPUMCFRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9(10-5-3-4-6-11(10)13)15-19(17,18)12-7-8-14-16(12)2/h3-9,15H,13H2,1-2H3.
What are the key properties of N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide?
N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104709386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).