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

C12H16N4O3S — CID 60808106

IUPAC3-amino-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H16N4O3S/c1-16-8-11(12(13)15-16)20(17,18)14-7-9-5-3-4-6-10(9)19-2/h3-6,8,14H,7H2,1-2H3,(H2,13,15)
InChIKeyLMYZYDPHTVTSFN-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.49
Rot. Bonds5

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

3-amino-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 60808106) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-amino-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID60808106
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name3-amino-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H16N4O3S/c1-16-8-11(12(13)15-16)20(17,18)14-7-9-5-3-4-6-10(9)19-2/h3-6,8,14H,7H2,1-2H3,(H2,13,15)
InChIKeyLMYZYDPHTVTSFN-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide (CID 60808106) is 3-amino-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide is COc1ccccc1CNS(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is LMYZYDPHTVTSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-16-8-11(12(13)15-16)20(17,18)14-7-9-5-3-4-6-10(9)19-2/h3-6,8,14H,7H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide?
3-amino-N-[(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 3-amino-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 60808106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).