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

C13H18N4O3S — CID 106259655

IUPAC3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C13H18N4O3S/c1-17-9-12(13(14)16-17)21(18,19)15-8-7-10-5-3-4-6-11(10)20-2/h3-6,9,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyDSYOXCABGVKRQC-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.53
Rot. Bonds6

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

3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 106259655) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID106259655
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C13H18N4O3S/c1-17-9-12(13(14)16-17)21(18,19)15-8-7-10-5-3-4-6-11(10)20-2/h3-6,9,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyDSYOXCABGVKRQC-UHFFFAOYSA-N
XLogP0.53
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(2-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 61110803
3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 60808925
3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 60808107
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 106034665
N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350352
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
3-amino-N-(3-hydroxybutyl)-1-methylpyrazole-4-sulfonamide
CID 64929598
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064
3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 63795143
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55907776
3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide
CID 102694355
3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide
CID 106208401

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide (CID 106259655) is 3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide is COc1ccccc1CCNS(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is DSYOXCABGVKRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-17-9-12(13(14)16-17)21(18,19)15-8-7-10-5-3-4-6-11(10)20-2/h3-6,9,15H,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 106259655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).