2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide

C13H19FN2O2S — CID 107397005

IUPAC2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O2S/c1-2-16(9-10-4-3-5-10)19(17,18)13-8-11(14)6-7-12(13)15/h6-8,10H,2-5,9,15H2,1H3
InChIKeyOXYLNYRSFVBYJF-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.22
Rot. Bonds5

About 2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide

2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide (PubChem CID 107397005) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
PubChem CID107397005
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O2S/c1-2-16(9-10-4-3-5-10)19(17,18)13-8-11(14)6-7-12(13)15/h6-8,10H,2-5,9,15H2,1H3
InChIKeyOXYLNYRSFVBYJF-UHFFFAOYSA-N
XLogP2.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63955321
5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide
CID 107397041
N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920810
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107402875
methyl 2-[cyclopropylmethyl(ethyl)sulfamoyl]-4-fluorobenzoate
CID 102919539
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline
CID 81184032
3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107396992
2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79701650
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,3-difluorobenzenesulfonamide
CID 107402876
2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106619

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide (CID 107397005) is 2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide is CCN(CC1CCC1)S(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide?
The InChIKey is OXYLNYRSFVBYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-2-16(9-10-4-3-5-10)19(17,18)13-8-11(14)6-7-12(13)15/h6-8,10H,2-5,9,15H2,1H3.
What are the key properties of 2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide?
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide is sourced from PubChem (CID 107397005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).