4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C13H18N4O3S — CID 106054609

IUPAC4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NCCn1cccn1
InChIInChI=1S/C13H18N4O3S/c1-20-12-9-11(10-14)3-4-13(12)21(18,19)16-6-8-17-7-2-5-15-17/h2-5,7,9,16H,6,8,10,14H2,1H3
InChIKeyFTFXEBURWWETMR-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.33
Rot. Bonds7

About 4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 106054609) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID106054609
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NCCn1cccn1
InChIInChI=1S/C13H18N4O3S/c1-20-12-9-11(10-14)3-4-13(12)21(18,19)16-6-8-17-7-2-5-15-17/h2-5,7,9,16H,6,8,10,14H2,1H3
InChIKeyFTFXEBURWWETMR-UHFFFAOYSA-N
XLogP0.33
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054562
2-methoxy-4,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716631
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459711
5-amino-4-bromo-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 81396960
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673
4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030823
5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054607
4-(aminomethyl)-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055671
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460076
4-(aminomethyl)-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433784
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 106054609) is 4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is COc1cc(CN)ccc1S(=O)(=O)NCCn1cccn1.
What is the InChIKey of 4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is FTFXEBURWWETMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-20-12-9-11(10-14)3-4-13(12)21(18,19)16-6-8-17-7-2-5-15-17/h2-5,7,9,16H,6,8,10,14H2,1H3.
What are the key properties of 4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106054609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).