3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide

C13H18N4O3S — CID 105358092

IUPAC3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C13H18N4O3S/c1-9-12(13(14)16-17(9)2)21(18,19)15-8-10-6-4-5-7-11(10)20-3/h4-7,15H,8H2,1-3H3,(H2,14,16)
InChIKeyQHRDLQUERWDNOM-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.80
Rot. Bonds5

About 3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105358092) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105358092
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C13H18N4O3S/c1-9-12(13(14)16-17(9)2)21(18,19)15-8-10-6-4-5-7-11(10)20-3/h4-7,15H,8H2,1-3H3,(H2,14,16)
InChIKeyQHRDLQUERWDNOM-UHFFFAOYSA-N
XLogP0.80
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 62164569
3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 60808107
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091247
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817
2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 43414928
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide
CID 105359297

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide (CID 105358092) is 3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide is COc1ccccc1CNS(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is QHRDLQUERWDNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-9-12(13(14)16-17(9)2)21(18,19)15-8-10-6-4-5-7-11(10)20-3/h4-7,15H,8H2,1-3H3,(H2,14,16).
What are the key properties of 3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.80, 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]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).