N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide

C13H17N3O3S — CID 66196473

IUPACN-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide
SMILESCCOC1CC(N)C1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H17N3O3S/c1-2-19-11-7-10(15)13(11)16-20(17,18)12-6-4-3-5-9(12)8-14/h3-6,10-11,13,16H,2,7,15H2,1H3
InChIKeyXYOKSJMTTIEKMP-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.34
Rot. Bonds5

About N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide

N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide (PubChem CID 66196473) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide
PubChem CID66196473
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide
SMILESCCOC1CC(N)C1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H17N3O3S/c1-2-19-11-7-10(15)13(11)16-20(17,18)12-6-4-3-5-9(12)8-14/h3-6,10-11,13,16H,2,7,15H2,1H3
InChIKeyXYOKSJMTTIEKMP-UHFFFAOYSA-N
XLogP0.34
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide (CID 66196473) is N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide is CCOC1CC(N)C1NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide?
The InChIKey is XYOKSJMTTIEKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-2-19-11-7-10(15)13(11)16-20(17,18)12-6-4-3-5-9(12)8-14/h3-6,10-11,13,16H,2,7,15H2,1H3.
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide?
N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide is sourced from PubChem (CID 66196473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).