4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide

C13H16N4O2S — CID 60823106

IUPAC4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2cnccn2)cc1
InChIInChI=1S/C13H16N4O2S/c1-2-14-9-11-3-5-12(6-4-11)20(18,19)17-13-10-15-7-8-16-13/h3-8,10,14H,2,9H2,1H3,(H,16,17)
InChIKeyGPJYFTIYTRWNPN-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.39
Rot. Bonds6

About 4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide

4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 60823106) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID60823106
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2cnccn2)cc1
InChIInChI=1S/C13H16N4O2S/c1-2-14-9-11-3-5-12(6-4-11)20(18,19)17-13-10-15-7-8-16-13/h3-8,10,14H,2,9H2,1H3,(H,16,17)
InChIKeyGPJYFTIYTRWNPN-UHFFFAOYSA-N
XLogP1.39
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid
CID 43616102
4-(methylamino)-N-pyrazin-2-ylbenzenesulfonamide
CID 43616210
4-bromo-N-pyrazin-2-ylbenzenesulfonamide
CID 22772873
CID 131880907
CID 131880907
2-(ethylamino)-N-pyrazin-2-ylpyrimidine-5-sulfonamide
CID 62148086
4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 60822489
4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60823882
4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 60822085
6-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
CID 62147379
4-(ethylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60822034
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide (CID 60823106) is 4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide is CCNCc1ccc(S(=O)(=O)Nc2cnccn2)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is GPJYFTIYTRWNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-14-9-11-3-5-12(6-4-11)20(18,19)17-13-10-15-7-8-16-13/h3-8,10,14H,2,9H2,1H3,(H,16,17).
What are the key properties of 4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide?
4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 60823106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).