N-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide

C13H19FN2O4S — CID 66197056

IUPACN-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCCOC1CC(N)C1NS(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H19FN2O4S/c1-3-20-12-7-10(15)13(12)16-21(17,18)8-4-5-11(19-2)9(14)6-8/h4-6,10,12-13,16H,3,7,15H2,1-2H3
InChIKeyMFNASKVJVPVTHD-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.62
Rot. Bonds6

About N-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide

N-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 66197056) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID66197056
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCCOC1CC(N)C1NS(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H19FN2O4S/c1-3-20-12-7-10(15)13(12)16-21(17,18)8-4-5-11(19-2)9(14)6-8/h4-6,10,12-13,16H,3,7,15H2,1-2H3
InChIKeyMFNASKVJVPVTHD-UHFFFAOYSA-N
XLogP0.62
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide
CID 66195315
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide
CID 66196473
2-[(3S,4R)-4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]oxan-3-yl]oxyacetic acid
CID 91761890
3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide
CID 129353410
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-methoxybenzamide
CID 102884059
3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982668
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
CID 122276580
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 43604563
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide (CID 66197056) is N-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide is CCOC1CC(N)C1NS(=O)(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is MFNASKVJVPVTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-3-20-12-7-10(15)13(12)16-21(17,18)8-4-5-11(19-2)9(14)6-8/h4-6,10,12-13,16H,3,7,15H2,1-2H3.
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide?
N-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 318.37 g/mol, XLogP of 0.62, 6 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)-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 66197056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).