N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide

C10H13F3N2O3S — CID 55103943

IUPACN-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
SMILESCN(CCN)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H13F3N2O3S/c1-15(7-6-14)19(16,17)9-4-2-8(3-5-9)18-10(11,12)13/h2-5H,6-7,14H2,1H3
InChIKeyAQKHGWUPAPLBFB-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.16
Rot. Bonds5

About N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide

N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 55103943) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID55103943
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC NameN-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
SMILESCN(CCN)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H13F3N2O3S/c1-15(7-6-14)19(16,17)9-4-2-8(3-5-9)18-10(11,12)13/h2-5H,6-7,14H2,1H3
InChIKeyAQKHGWUPAPLBFB-UHFFFAOYSA-N
XLogP1.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide (CID 55103943) is N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide is CN(CCN)S(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is AQKHGWUPAPLBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-15(7-6-14)19(16,17)9-4-2-8(3-5-9)18-10(11,12)13/h2-5H,6-7,14H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide?
N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 298.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 55103943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).