N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide

C12H16N4O2S — CID 103110598

IUPACN-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCc1c(N)cccc1CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H16N4O2S/c1-9-10(4-3-5-12(9)13)6-15-19(17,18)11-7-14-16(2)8-11/h3-5,7-8,15H,6,13H2,1-2H3
InChIKeyUKNRXVNVMRPSOB-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.79
Rot. Bonds4

About N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide

N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 103110598) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID103110598
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCc1c(N)cccc1CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H16N4O2S/c1-9-10(4-3-5-12(9)13)6-15-19(17,18)11-7-14-16(2)8-11/h3-5,7-8,15H,6,13H2,1-2H3
InChIKeyUKNRXVNVMRPSOB-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide 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

1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
1,3-dimethyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1H-pyrazole-4-sulfonamide
CID 6469799
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
N-(2,3-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022076
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6464746
[(1,3-Dimethylpyrazol-4-yl)sulfonyl][6-methyl-2-(methylethyl)phenyl]amine
CID 6468977
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide (CID 103110598) is N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide is Cc1c(N)cccc1CNS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is UKNRXVNVMRPSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-10(4-3-5-12(9)13)6-15-19(17,18)11-7-14-16(2)8-11/h3-5,7-8,15H,6,13H2,1-2H3.
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide?
N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 103110598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).