N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide

C12H16N4O2S — CID 54936964

IUPACN-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(Cc1ccccc1N)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H16N4O2S/c1-2-16(9-10-5-3-4-6-12(10)13)19(17,18)11-7-14-15-8-11/h3-8H,2,9,13H2,1H3,(H,14,15)
InChIKeySCCZCTVBKPHIQR-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.20
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide

N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide (PubChem CID 54936964) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide
PubChem CID54936964
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(Cc1ccccc1N)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H16N4O2S/c1-2-16(9-10-5-3-4-6-12(10)13)19(17,18)11-7-14-15-8-11/h3-8H,2,9,13H2,1H3,(H,14,15)
InChIKeySCCZCTVBKPHIQR-UHFFFAOYSA-N
XLogP1.20
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 47267553
N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 43459312
N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47267533
N-[(2-aminophenyl)methyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290024
4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
CID 61112191
N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60929148
N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide
CID 105360552
N-butyl-N-(2-chloroethyl)-1H-pyrazole-4-sulfonamide
CID 63396636
3-[2-amino-N-(1H-pyrazol-4-ylsulfonyl)anilino]propanoic acid
CID 63118504
N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
CID 80576976
N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 142529385
N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 54934032

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide (CID 54936964) is N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide is CCN(Cc1ccccc1N)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is SCCZCTVBKPHIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-16(9-10-5-3-4-6-12(10)13)19(17,18)11-7-14-15-8-11/h3-8H,2,9,13H2,1H3,(H,14,15).
What are the key properties of N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide?
N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54936964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).