3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C12H16N4O2S — CID 61462673

IUPAC3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NCCn2cccn2)c1
InChIInChI=1S/C12H16N4O2S/c13-10-11-3-1-4-12(9-11)19(17,18)15-6-8-16-7-2-5-14-16/h1-5,7,9,15H,6,8,10,13H2
InChIKeyNSUDZRWJCPLCCA-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.32
Rot. Bonds6

About 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 61462673) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID61462673
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NCCn2cccn2)c1
InChIInChI=1S/C12H16N4O2S/c13-10-11-3-1-4-12(9-11)19(17,18)15-6-8-16-7-2-5-14-16/h1-5,7,9,15H,6,8,10,13H2
InChIKeyNSUDZRWJCPLCCA-UHFFFAOYSA-N
XLogP0.32
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 54951763
5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054562
3-(methylaminomethyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 106077063
4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054609
3-amino-4-hydroxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459596
3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461304
4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461366
5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054607
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
3-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327412
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460006
2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid
CID 61463014

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 61462673) is 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is NCc1cccc(S(=O)(=O)NCCn2cccn2)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is NSUDZRWJCPLCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-10-11-3-1-4-12(9-11)19(17,18)15-6-8-16-7-2-5-14-16/h1-5,7,9,15H,6,8,10,13H2.
What are the key properties of 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61462673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).