N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide

C12H16N4O3S — CID 62062082

IUPACN-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1ccc(N)cc1CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H16N4O3S/c1-16-8-11(7-14-16)20(17,18)15-6-9-5-10(13)3-4-12(9)19-2/h3-5,7-8,15H,6,13H2,1-2H3
InChIKeyHGFDSQNEDRPBTR-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.49
Rot. Bonds5

About N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide

N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 62062082) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID62062082
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1ccc(N)cc1CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H16N4O3S/c1-16-8-11(7-14-16)20(17,18)15-6-9-5-10(13)3-4-12(9)19-2/h3-5,7-8,15H,6,13H2,1-2H3
InChIKeyHGFDSQNEDRPBTR-UHFFFAOYSA-N
XLogP0.49
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54903401
N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
CID 61014555
N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413904
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 79530011
4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 114958694
N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 103110598
N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
CID 54903496
N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62049706
N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 62063840
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 47318060
N-[[3-(aminomethyl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 55030523
N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 43605199

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide (CID 62062082) is N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide is COc1ccc(N)cc1CNS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is HGFDSQNEDRPBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-16-8-11(7-14-16)20(17,18)15-6-9-5-10(13)3-4-12(9)19-2/h3-5,7-8,15H,6,13H2,1-2H3.
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide?
N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 62062082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).