N-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide

C13H19FN2O3S — CID 66194932

IUPACN-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCCOC1CC(N)C1NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C13H19FN2O3S/c1-3-19-11-7-10(15)13(11)16-20(17,18)12-5-4-9(14)6-8(12)2/h4-6,10-11,13,16H,3,7,15H2,1-2H3
InChIKeyYMXYEDNVNDBUHC-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.92
Rot. Bonds5

About N-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide

N-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 66194932) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID66194932
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCCOC1CC(N)C1NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C13H19FN2O3S/c1-3-19-11-7-10(15)13(11)16-20(17,18)12-5-4-9(14)6-8(12)2/h4-6,10-11,13,16H,3,7,15H2,1-2H3
InChIKeyYMXYEDNVNDBUHC-UHFFFAOYSA-N
XLogP0.92
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide (CID 66194932) is N-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide is CCOC1CC(N)C1NS(=O)(=O)c1ccc(F)cc1C.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is YMXYEDNVNDBUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-3-19-11-7-10(15)13(11)16-20(17,18)12-5-4-9(14)6-8(12)2/h4-6,10-11,13,16H,3,7,15H2,1-2H3.
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide?
N-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 302.37 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 66194932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).