N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide

C12H15F3N2O2S — CID 102874463

IUPACN-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide
SMILESNCCN(C1CCC1)S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O2S/c13-8-6-10(14)12(11(15)7-8)20(18,19)17(5-4-16)9-2-1-3-9/h6-7,9H,1-5,16H2
InChIKeyYKYWYFGZRWLURW-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.61
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide

N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide (PubChem CID 102874463) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide
PubChem CID102874463
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.32 g/mol
Exact Mass308.08
IUPAC NameN-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide
SMILESNCCN(C1CCC1)S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O2S/c13-8-6-10(14)12(11(15)7-8)20(18,19)17(5-4-16)9-2-1-3-9/h6-7,9H,1-5,16H2
InChIKeyYKYWYFGZRWLURW-UHFFFAOYSA-N
XLogP1.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859183
N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide
CID 28708327
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327564
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
CID 102874343
N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
CID 102874150
N-(2-aminoethyl)-N-cyclobutylethanesulfonamide
CID 102874418
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide
CID 107493808
N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide
CID 28708333
2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859154

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide (CID 102874463) is N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide is NCCN(C1CCC1)S(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide?
The InChIKey is YKYWYFGZRWLURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c13-8-6-10(14)12(11(15)7-8)20(18,19)17(5-4-16)9-2-1-3-9/h6-7,9H,1-5,16H2.
What are the key properties of N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide?
N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide has a molecular weight of 308.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide is sourced from PubChem (CID 102874463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).